aripiprazole [Ligand Id: 34] activity data from GtoPdb and ChEMBL
Click here for a description of the charts and data table
Please tell us if you are using this feature and what you think!
| ChEMBL ligand: CHEMBL1112 (Abilify, Abilify maintena, Abilify maintena kit, Abilify mycite, Abilify mycite kit, Aripiprazole, Aripiprex, NSC-759266, OPC-14597, OPC-31) |
|---|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| α1A-adrenoceptor/Alpha-1a adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL229] [GtoPdb: 22] [UniProtKB: P35348] | ||||||||
| ChEMBL | Binding affinity to adrenergic alpha1A receptor (unknown origin) by PDSP assay | B | 7 | pKi | 100 | nM | Ki | Medchemcomm (2012) 3: 580-583 |
| ChEMBL | Binding Assay: Binding assay using 5-HT2A, Dopamine D2, SERT, αA1, 5-HT2C and H1 Receptors. | B | 7.59 | pKi | 26 | nM | Ki | US-8598119-B2. Methods and compositions for sleep disorders and other disorders (2013) |
| ChEMBL | Antagonistic activity at alpha-1A adrenergic receptor (unknown origin) after 10 mins by FLIPR assay | B | 6.77 | pIC50 | 170 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 3141-3147 [PMID:27173799] |
| ChEMBL | Antagonistic activity at alpha-1A adrenergic receptor (unknown origin) after 10 mins by FLIPR assay | F | 6.77 | pIC50 | 170 | nM | IC50 | Bioorg Med Chem Lett (2018) 28: 606-611 [PMID:29395980] |
| ChEMBL | Antagonist activity at adrenergic alpha1A receptor (unknown origin) after 10 mins by calcium 5 dye based FLIPR assay | F | 6.77 | pIC50 | 170 | nM | IC50 | Eur J Med Chem (2018) 145: 74-85 [PMID:29324345] |
| α1B-adrenoceptor/Alpha-1b adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL232] [GtoPdb: 23] [UniProtKB: P35368] | ||||||||
| ChEMBL | Binding affinity to adrenergic alpha1B receptor (unknown origin) by PDSP assay | B | 7 | pKi | 100 | nM | Ki | Medchemcomm (2012) 3: 580-583 |
| α2A-adrenoceptor/Alpha-2a adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1867] [GtoPdb: 25] [UniProtKB: P08913] | ||||||||
| ChEMBL | Binding affinity to adrenergic alpha2A receptor (unknown origin) by PDSP assay | B | 7 | pKi | 100 | nM | Ki | Medchemcomm (2012) 3: 580-583 |
| α2B-adrenoceptor/Alpha-2b adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1942] [GtoPdb: 26] [UniProtKB: P18089] | ||||||||
| ChEMBL | Binding affinity to adrenergic alpha2B receptor (unknown origin) by PDSP assay | B | 6 | pKi | 1000 | nM | Ki | Medchemcomm (2012) 3: 580-583 |
| α2C-adrenoceptor/Alpha-2c adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1916] [GtoPdb: 27] [UniProtKB: P18825] | ||||||||
| ChEMBL | Binding affinity to adrenergic alpha2C receptor (unknown origin) by PDSP assay | B | 7 | pKi | 100 | nM | Ki | Medchemcomm (2012) 3: 580-583 |
| D1 receptor/Dopamine D1 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2056] [GtoPdb: 214] [UniProtKB: P21728] | ||||||||
| ChEMBL | Displacement of [3H]-SCH23390 from D1 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation counting method | B | 5.94 | pKi | 1148.15 | nM | Ki | J Med Chem (2021) 64: 17239-17258 [PMID:34797051] |
| ChEMBL | Displacement of [3H]-SCH23390 from D1 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation counting method | B | 5.94 | pKi | 1146 | nM | Ki | J Med Chem (2021) 64: 17239-17258 [PMID:34797051] |
| ChEMBL | Binding affinity to dopamine D1 receptor (unknown origin) by PDSP assay | B | 6 | pKi | 1000 | nM | Ki | Medchemcomm (2012) 3: 580-583 |
| ChEMBL | Radioligand Binding Assay: Membranes prepared as above were resuspended to 1 ug protein/ul (measured by Bradford assay using BSA as standard), and 50 ul were added to each well of a polypropylene 96-well plate containing (per well): 50 ul of buffer (20 mM HEPES, 10 mM MgCl2, 1 mM EDTA, 1 mM EGTA, 100 mM N-methyl-D-gluconate, pH 7.4), 50 ul of 1.5 nM [3H]N-methylspiperone (final concentration 0.3 nM) and reference or D2 test ligand at various concentrations ranging from 50 uM to 50 uM (final concentrations ranging from 10 uM to 10 uM, triplicate determinations for each concentration of D2 test ligand). After a 1.5-hr incubation in the dark at room temperature, the reactions were harvested onto 0.3% PEI-soaked Filtermax GF/A filters (Wallac) and washed three times with ice-cold 50 mM Tris, pH 7.4 using a Perkin-Elmer Filtermate 96-well harvester. The filters were subsequently dried, placed on a hot plate (100° C.), and Melitilex-A (Wallac) scintillant was applied. | B | 6.05 | pKi | 895 | nM | Ki | US-9156822-B2. Functionally selective ligands of dopamine D2 receptors (2015) |
| ChEMBL | Displacement of [3H]SCH23390 from human Dopamine D1 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis | B | 6.51 | pKi | 310 | nM | Ki | J Med Chem (2017) 60: 2908-2929 [PMID:28248104] |
| ChEMBL | Displacement of [3H]SCH23390 from human D1R expressed in HEK293T cell membranes by radioligand binding assay | B | 6.51 | pKi | 310 | nM | Ki | J Med Chem (2017) 60: 4693-4713 [PMID:28489379] |
| ChEMBL | Displacement of [3H]SCH23390 from human D1R expressed in HEK293T cell membranes | B | 6.51 | pKi | 310 | nM | Ki | Bioorg Med Chem (2017) 25: 5613-5628 [PMID:28870802] |
| ChEMBL | Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293 cells by competitive binding assay | B | 6.51 | pKi | 310 | nM | Ki | J Med Chem (2014) 57: 4861-4875 [PMID:24831693] |
| D1 receptor/Dopamine D1 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL265] [GtoPdb: 214] [UniProtKB: P18901] | ||||||||
| ChEMBL | Displacement of [3H]SCH23390 from dopamine D1 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry | B | 5.71 | pKi | 1960 | nM | Ki | J Med Chem (2009) 52: 151-169 [PMID:19072656] |
| ChEMBL | Displacement of [3H]SCH23390 from dopamine D1 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry | B | 9.1 | pKi | 0.8 | nM | Ki | J Med Chem (2010) 53: 4803-4807 [PMID:20481570] |
| D2 receptor/Dopamine D2 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL217] [GtoPdb: 215] [UniProtKB: P14416] | ||||||||
| ChEMBL | Binding affinity to dopamine D2 receptor (unknown origin) | B | 8.01 | pKi | 9.7 | nM | Ki | Bioorg Med Chem Lett (2021) 40: 127909-127909 [PMID:33705900] |
| ChEMBL | Radioligand Binding Assay: Membranes prepared as above were resuspended to 1 ug protein/ul (measured by Bradford assay using BSA as standard), and 50 ul were added to each well of a polypropylene 96-well plate containing (per well): 50 ul of buffer (20 mM HEPES, 10 mM MgCl2, 1 mM EDTA, 1 mM EGTA, 100 mM N-methyl-D-gluconate, pH 7.4), 50 ul of 1.5 nM [3H]N-methylspiperone (final concentration 0.3 nM) and reference or D2 test ligand at various concentrations ranging from 50 uM to 50 uM (final concentrations ranging from 10 uM to 10 uM, triplicate determinations for each concentration of D2 test ligand). After a 1.5-hr incubation in the dark at room temperature, the reactions were harvested onto 0.3% PEI-soaked Filtermax GF/A filters (Wallac) and washed three times with ice-cold 50 mM Tris, pH 7.4 using a Perkin-Elmer Filtermate 96-well harvester. The filters were subsequently dried, placed on a hot plate (100° C.), and Melitilex-A (Wallac) scintillant was applied. | B | 8.1 | pKi | 8 | nM | Ki | US-9156822-B2. Functionally selective ligands of dopamine D2 receptors (2015) |
| ChEMBL | Displacement of [3H]spiperone from human dopamine D2 receptor short form expressed in CHO cells | B | 8.3 | pKi | 5.01 | nM | Ki | J Med Chem (2007) 50: 5103-5108 [PMID:17880057] |
| ChEMBL | Displacement of [3H]-Spiperone from human dopamine D2L receptor expressed in CHO cells | B | 8.4 | pKi | 4 | nM | Ki | Bioorg Med Chem Lett (2010) 20: 5666-5669 [PMID:20801650] |
| ChEMBL | Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method | B | 8.41 | pKi | 3.9 | nM | Ki | J Med Chem (2012) 55: 7141-7153 [PMID:22845053] |
| ChEMBL | Displacement of [3H]N-methylspiperone from human D2 receptor expressed in cell membranes after 1 hr by liquid scintillation counting | B | 8.48 | pKi | 3.3 | nM | Ki | Bioorg Med Chem (2016) 24: 3464-3471 [PMID:27312422] |
| ChEMBL | Displacement of [3H]N-methylspiperone from human dopamine D2 receptor incubated for 1 hr by liquid scintillation counting method | B | 8.48 | pKi | 3.3 | nM | Ki | Eur J Med Chem (2021) 214: 113243-113243 [PMID:33582388] |
| ChEMBL | Displacement of [3H]-N-methylspiperone from human dopamine D2 receptor by liquid scintillation counting | B | 8.48 | pKi | 3.3 | nM | Ki | Bioorg Med Chem (2021) 30: 115943-115943 [PMID:33338898] |
| ChEMBL | Displacement of [3H]methylspiperone from human D2 receptor by radio ligand binding assay | B | 8.48 | pKi | 3.3 | nM | Ki | Bioorg Med Chem Lett (2019) 29: 126667-126667 [PMID:31547945] |
| ChEMBL | Displacement of [125I]ABN from human recombinant D2L receptor expressed in HEK cells after 60 mins by gamma counter | B | 8.51 | pKi | 3.1 | nM | Ki | Bioorg Med Chem (2011) 19: 3502-3511 [PMID:21536445] |
| ChEMBL | Displacement of [3H]spiperone from human dopamine D2 receptor at high affinity state expressed in HEK293 cells | B | 8.55 | pKi | 2.8 | nM | Ki | J Med Chem (2010) 53: 2510-2520 [PMID:20155917] |
| ChEMBL | Displacement of [3H]spiperone from human dopamine D2 receptor at low affinity state expressed in HEK293 cells | B | 8.59 | pKi | 2.6 | nM | Ki | J Med Chem (2010) 53: 2510-2520 [PMID:20155917] |
| ChEMBL | Displacement of [3H]-N-methylspiperone from D2 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation counting method | B | 8.67 | pKi | 2.14 | nM | Ki | J Med Chem (2021) 64: 17239-17258 [PMID:34797051] |
| ChEMBL | Displacement of [3H]-N-methylspiperone from D2 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation counting method | B | 8.67 | pKi | 2.13 | nM | Ki | J Med Chem (2021) 64: 17239-17258 [PMID:34797051] |
| ChEMBL | Binding affinity to dopamine D2 | B | 8.74 | pKi | 1.82 | nM | Ki | J Med Chem (2007) 50: 489-500 [PMID:17266201] |
| ChEMBL | Displacement of [3H]Spiperone from human dopamine D2L receptor expressed in CHO cells | B | 8.74 | pKi | 1.8 | nM | Ki | Bioorg Med Chem Lett (2011) 21: 2621-2625 [PMID:21353774] |
| ChEMBL | Binding Assay: Binding assay using 5-HT2A, Dopamine D2, SERT, αA1, 5-HT2C and H1 Receptors. | B | 8.8 | pKi | 1.6 | nM | Ki | US-8598119-B2. Methods and compositions for sleep disorders and other disorders (2013) |
| ChEMBL | Binding affinity to dopamine D2 receptor (unknown origin) by PDSP assay | B | 9 | pKi | <1 | nM | Ki | Medchemcomm (2012) 3: 580-583 |
| ChEMBL | Binding affinity to dopamine D2 receptor (unknown origin) | B | 9.1 | pKi | 0.8 | nM | Ki | J Med Chem (2014) 57: 9578-9597 [PMID:25343529] |
| ChEMBL | Displacement of [3H]-raclopride from human D2LR expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method | B | 9.1 | pKi | 0.8 | nM | Ki | Eur J Med Chem (2018) 145: 790-804 [PMID:29407591] |
| ChEMBL | Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in HEK293 after 1 hr | B | 9.1 | pKi | 0.8 | nM | Ki | Eur J Med Chem (2013) 60: 42-50 [PMID:23279866] |
| GtoPdb | - | - | 9.1 | pKi | 0.8 | nM | Ki | Eur J Med Chem (2013) 60: 42-50 [PMID:23279866] |
| ChEMBL | Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK293 cell membranes measured after 60 mins by MicroBeta scintillation counting method | B | 9.16 | pKi | 0.69 | nM | Ki | J Med Chem (2021) 64: 15313-15333 [PMID:34636551] |
| ChEMBL | Displacement of [3H]Spiperone from human dopamine D2 long receptor expressed in CHO cells by competitive binding assay | B | 9.27 | pKi | 0.54 | nM | Ki | J Med Chem (2014) 57: 4861-4875 [PMID:24831693] |
| ChEMBL | Displacement of [3H]spiperone from human Dopamine D2L receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis | B | 9.28 | pKi | 0.53 | nM | Ki | J Med Chem (2017) 60: 2908-2929 [PMID:28248104] |
| ChEMBL | Displacement of [3H]spiperone from human D2LR expressed in CHO cell membranes | B | 9.28 | pKi | 0.52 | nM | Ki | Bioorg Med Chem (2017) 25: 5613-5628 [PMID:28870802] |
| ChEMBL | Displacement of [3H]spiperone from human D2LR expressed in CHO cell membranes by radioligand binding assay | B | 9.28 | pKi | 0.52 | nM | Ki | J Med Chem (2017) 60: 4693-4713 [PMID:28489379] |
| ChEMBL | Displacement of [3H]spiperone from human dopamine D2L receptor expressed in CHO cell membranes by radioligand competition binding assay | B | 9.32 | pKi | 0.48 | nM | Ki | Bioorg Med Chem (2015) 23: 6195-6209 [PMID:26299826] |
| ChEMBL | Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D2 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation counting analysis | B | 9.32 | pKi | 0.48 | nM | Ki | J Med Chem (2017) 60: 2890-2907 [PMID:28300398] |
| ChEMBL | Displacement of [3H]spiperone from human Dopamine D2S receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis | B | 9.35 | pKi | 0.45 | nM | Ki | J Med Chem (2017) 60: 2908-2929 [PMID:28248104] |
| ChEMBL | Displacement of [3H]Spiperone from human dopamine D2 short receptor expressed in CHO cells by competitive binding assay | B | 9.35 | pKi | 0.45 | nM | Ki | J Med Chem (2014) 57: 4861-4875 [PMID:24831693] |
| ChEMBL | Displacement of [3H]spiperone from human D2SR expressed in CHO cell membranes by radioligand binding assay | B | 9.42 | pKi | 0.38 | nM | Ki | J Med Chem (2017) 60: 4693-4713 [PMID:28489379] |
| ChEMBL | Displacement of [3H]spiperone from human D2SR expressed in CHO cell membranes | B | 9.42 | pKi | 0.38 | nM | Ki | Bioorg Med Chem (2017) 25: 5613-5628 [PMID:28870802] |
| ChEMBL | Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in HEK293 cells | B | 9.46 | pKi | 0.34 | nM | Ki | J Med Chem (2015) 58: 5361-5380 [PMID:25826710] |
| ChEMBL | Displacement of [3H]-raclopride from human D2L receptor expressed in HEK293 cells incubated for 1 hr by liquid scintillation counting method | B | 9.47 | pKi | 0.34 | nM | Ki | Eur J Med Chem (2019) 183: 111736-111736 [PMID:31586817] |
| ChEMBL | Displacement of [3H]raclopride from human D2 dopamine receptor expressed in CHO cell membranes | B | 9.7 | pKi | 0.2 | nM | Ki | Bioorg Med Chem Lett (2013) 23: 543-547 [PMID:23237836] |
| ChEMBL | Antagonistic activity at human dopamine D2 receptor measured after 60 mins by Lance Ultra cAMP assay | F | 7.49 | pIC50 | 32 | nM | IC50 | Bioorg Med Chem Lett (2018) 28: 606-611 [PMID:29395980] |
| ChEMBL | Antagonistic activity at human dopamine D2 receptor measured after 60 mins by Ultra Lance cAMP assay | F | 7.76 | pIC50 | 17.2 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 3141-3147 [PMID:27173799] |
| ChEMBL | Antagonist activity at human dopamine D2 short receptor transiently expressed in HEK293 cells assessed as inhibition of beta-arrestin recruitment after 6 hrs by chemiluminescence assay | B | 7.95 | pIC50 | 11.22 | nM | IC50 | J Med Chem (2014) 57: 4861-4875 [PMID:24831693] |
| ChEMBL | Antagonist activity at human dopamine D2 short receptor transiently expressed in HEK293 cells assessed as inhibition of beta-arrestin recruitment after 6 hrs by chemiluminescence assay | B | 7.96 | pIC50 | 11 | nM | IC50 | J Med Chem (2014) 57: 4861-4875 [PMID:24831693] |
| ChEMBL | Antagonist activity at human D2 dopamine receptor expressed in CHO cell membrane by GTPgammaS-binding assay | F | 8.12 | pIC50 | 7.6 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 543-547 [PMID:23237836] |
| ChEMBL | Agonist activity at renilla luciferase-tagged human dopamine D2 receptor expressed in HEK293 cells coexpressing mVenus-fused beta-arrestin 2 assessed as induction of beta-arrestin 2 recruitment by BRET assay | B | 5.3 | pEC50 | >5000 | nM | EC50 | J Med Chem (2017) 60: 2890-2907 [PMID:28300398] |
| ChEMBL | Agonist activity at human dopamine D2 receptor expressed in HEK293 cells coexpressing renilla luciferase-fused GalphaoA/GFP10-fused Ggamma2 by BRET assay | B | 5.3 | pEC50 | >5000 | nM | EC50 | J Med Chem (2017) 60: 2890-2907 [PMID:28300398] |
| ChEMBL | Agonist activity at human dopamine D2 receptor expressed in HEK293 cells coexpressing renilla luciferase-fused Galphai1/GFP10-fused Ggamma2 by BRET assay | B | 5.3 | pEC50 | >5000 | nM | EC50 | J Med Chem (2017) 60: 2890-2907 [PMID:28300398] |
| ChEMBL | Agonist activity at human dopamine D2 receptor expressed in HEK293 cells assessed as cAMP inhibition by BRET assay | F | 5.3 | pEC50 | >5000 | nM | EC50 | J Med Chem (2017) 60: 2890-2907 [PMID:28300398] |
| ChEMBL | Partial agonist activity at human D2SR expressed in HEK293T cells co-expressing (EA)beta-arrestin2 assessed as induction of beta-arrestin2 recruitment after 5 hrs by chemiluminescence assay | B | 5.96 | pEC50 | 1100 | nM | EC50 | J Med Chem (2017) 60: 4693-4713 [PMID:28489379] |
| ChEMBL | Partial agonist activity at human D2SR expressed in HEK293T cells co-expressing (EA)beta-arrestin2 and GRK2 assessed as induction of beta-arrestin2 recruitment after 5 hrs by chemiluminescence assay | B | 6.13 | pEC50 | 740 | nM | EC50 | J Med Chem (2017) 60: 4693-4713 [PMID:28489379] |
| ChEMBL | Agonist activity at human dopamine D2 short receptor transiently expressed in HEK293 cells co-expressing Galphai2 after 30 mins by [35S]GTPgammaS binding assay | F | 6.8 | pEC50 | 160 | nM | EC50 | J Med Chem (2014) 57: 4861-4875 [PMID:24831693] |
| ChEMBL | Agonist activity at human Dopamine D2S receptor expressed in HEK293T cell membranes coexpressing Galphai2 incubated for 30 mins measured after 75 mins by [35S]GTPgammaS binding assay | F | 6.8 | pEC50 | 160 | nM | EC50 | J Med Chem (2017) 60: 2908-2929 [PMID:28248104] |
| ChEMBL | Activity at dopamine D2S receptor (unknown origin) expressed in HEK293 cell membranes co-expressing Galpha protein subunit Galphai2 by [35S]GTPgammaS binding assay | F | 6.8 | pEC50 | 158.49 | nM | EC50 | Bioorg Med Chem (2015) 23: 6195-6209 [PMID:26299826] |
| ChEMBL | Agonist activity at human Dopamine D2S receptor expressed in HEK293T cell membranes coexpressing Galphai2 incubated for 30 mins measured after 75 mins by [35S]GTPgammaS binding assay | F | 6.8 | pEC50 | 158.49 | nM | EC50 | J Med Chem (2017) 60: 2908-2929 [PMID:28248104] |
| ChEMBL | Agonist activity at human dopamine D2 short receptor transiently expressed in HEK293 cells co-expressing Galphai2 after 30 mins by [35S]GTPgammaS binding assay | F | 6.8 | pEC50 | 158.49 | nM | EC50 | J Med Chem (2014) 57: 4861-4875 [PMID:24831693] |
| ChEMBL | Agonist activity at human D2S receptor expressed in HEK293T cell membranes coexpressing Galphao1 assessed as induction of nucleotide exchange preincubated for 30 mins followed by addition of [35S]GTPgammaS measured after 30 mins by [35S]GTPgammaS binding assay | F | 6.89 | pEC50 | 130 | nM | EC50 | J Med Chem (2017) 60: 4693-4713 [PMID:28489379] |
| ChEMBL | Agonist activity at human Dopamine D2S receptor expressed in HEK293T cell membranes coexpressing GalphaoA incubated for 30 mins measured after 75 mins by [35S]GTPgammaS binding assay | F | 7.41 | pEC50 | 39 | nM | EC50 | J Med Chem (2017) 60: 2908-2929 [PMID:28248104] |
| ChEMBL | Agonist activity at human Dopamine D2S receptor expressed in HEK293T cell membranes coexpressing GalphaoA incubated for 30 mins measured after 75 mins by [35S]GTPgammaS binding assay | F | 7.41 | pEC50 | 38.9 | nM | EC50 | J Med Chem (2017) 60: 2908-2929 [PMID:28248104] |
| ChEMBL | Activity at dopamine D2S receptor (unknown origin) expressed in HEK293 cell membranes co-expressing Galpha protein subunit Galphao1 by [35S]GTPgammaS binding assay | F | 7.41 | pEC50 | 38.9 | nM | EC50 | Bioorg Med Chem (2015) 23: 6195-6209 [PMID:26299826] |
| GtoPdb | Measuring cAMP production via the Gi-coupled signaling pathway | - | 7.42 | pEC50 | 38 | nM | EC50 | Proc Natl Acad Sci USA (2011) 108: 18488-93 [PMID:22025698] |
| ChEMBL | Agonist activity at N-terminal flag-tagged D2S receptor (unknown origin) expressed in HEK293 cells coexpressing renilla luciferase 2-tagged Galphai2 after 10 mins by BRET assay | B | 7.71 | pEC50 | 19.4 | nM | EC50 | J Med Chem (2017) 60: 2908-2929 [PMID:28248104] |
| ChEMBL | Partial agonist activity at D2 receptor (unknown origin) expressed in HEK293T cells co-expressing GFP2-beta-arrestin2 assessed as beta-arrestin2 recruitment preincubated for 2 mins with coelenterazine followed by compound addition and measured after 2 mins by BRET assay | F | 7.72 | pEC50 | 19.05 | nM | EC50 | J Med Chem (2021) 64: 17239-17258 [PMID:34797051] |
| ChEMBL | Partial agonist activity at D2 receptor (unknown origin) expressed in HEK293T cells co-expressing GFP2-beta-arrestin2 assessed as beta-arrestin2 recruitment preincubated for 2 mins with coelenterazine followed by compound addition and measured after 2 mins by BRET assay | F | 7.72 | pEC50 | 18.9 | nM | EC50 | J Med Chem (2021) 64: 17239-17258 [PMID:34797051] |
| ChEMBL | Agonist activity at N-terminal flag-tagged D2S receptor (unknown origin) expressed in HEK293 cells coexpressing renilla luciferase 2-tagged Galphai3 after 10 mins by BRET assay | B | 7.76 | pEC50 | 17.5 | nM | EC50 | J Med Chem (2017) 60: 2908-2929 [PMID:28248104] |
| ChEMBL | Agonist activity at N-terminal flag-tagged D2S receptor (unknown origin) expressed in HEK293 cells coexpressing renilla luciferase 2-tagged Galphai1 after 10 mins by BRET assay | B | 7.83 | pEC50 | 14.9 | nM | EC50 | J Med Chem (2017) 60: 2908-2929 [PMID:28248104] |
| ChEMBL | Partial agonist activity at D2 receptor (unknown origin) expressed in HEK293T cells co-expressing Rluc8-tagged Galpahi1 assessed as Galphai1 dissociation preincubated for 2 mins with coelenterazine followed by compound addition and measured after 2 mins by BRET assay | F | 7.91 | pEC50 | 12.4 | nM | EC50 | J Med Chem (2021) 64: 17239-17258 [PMID:34797051] |
| ChEMBL | Partial agonist activity at D2 receptor (unknown origin) expressed in HEK293T cells co-expressing Rluc8-tagged Galpahi1 assessed as Galphai1 dissociation preincubated for 2 mins with coelenterazine followed by compound addition and measured after 2 mins by BRET assay | F | 7.91 | pEC50 | 12.3 | nM | EC50 | J Med Chem (2021) 64: 17239-17258 [PMID:34797051] |
| ChEMBL | Agonist activity at N-terminal flag-tagged D2S receptor (unknown origin) expressed in HEK293 cells coexpressing renilla luciferase 2-tagged GalphaoA after 10 mins by BRET assay | B | 8.06 | pEC50 | 8.7 | nM | EC50 | J Med Chem (2017) 60: 2908-2929 [PMID:28248104] |
| ChEMBL | Agonist activity at N-terminal flag-tagged D2S receptor (unknown origin) expressed in HEK293 cells coexpressing renilla luciferase 2-tagged GalphaoB after 10 mins by BRET assay | B | 8.32 | pEC50 | 4.8 | nM | EC50 | J Med Chem (2017) 60: 2908-2929 [PMID:28248104] |
| ChEMBL | Agonist activity at D2L receptor in human HTLA cells assessed as beta arrestin recruitment at 6 uM after 18 hrs by luminescence assay | F | 8.4 | pEC50 | 4 | nM | EC50 | J Med Chem (2012) 55: 7141-7153 [PMID:22845053] |
| ChEMBL | Inverse agonist activity at dopamine D2 receptor (unknown origin) assessed as increase in beta-arrestin-2 recruitment | B | 8.4 | pEC50 | 4 | nM | EC50 | J Med Chem (2018) 61: 9841-9878 [PMID:29939744] |
| ChEMBL | Inverse agonist activity at dopamine D2 receptor (unknown origin) assessed as inhibition of forskolin-mediated cAMP accumulation after 20 mins by radiometric assay | F | 9 | pEC50 | 1 | nM | EC50 | J Med Chem (2018) 61: 9841-9878 [PMID:29939744] |
| ChEMBL | Agonist activity at human D2L receptor expressed in HEK293T cells coexpressing Gi subunit assessed as inhibition of isoproterenol-stimulated cAMP production by luminescence assay | F | 9 | pEC50 | 1 | nM | EC50 | J Med Chem (2012) 55: 7141-7153 [PMID:22845053] |
| D2 receptor/Dopamine D2 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL339] [GtoPdb: 215] [UniProtKB: P61169] | ||||||||
| ChEMBL | Displacement of [3H]spiperone from D2 receptor in rat striatum measured after 15 mins by liquid scintillation counting method | B | 8.01 | pKi | 9.7 | nM | Ki | Eur J Med Chem (2020) 207: 112709-112709 [PMID:32877805] |
| ChEMBL | Displacement of [3H]spiperone from dopamine D2 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry | B | 8.48 | pKi | 3.3 | nM | Ki | J Med Chem (2010) 53: 4803-4807 [PMID:20481570] |
| ChEMBL | Displacement of [3H]spiperone from dopamine D2 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry | B | 9.1 | pKi | 0.8 | nM | Ki | J Med Chem (2009) 52: 151-169 [PMID:19072656] |
| GtoPdb | - | - | 9.7 | pKi | - | - | - | Mol Pharmacol (2000) 57: 144-52 [PMID:10617689] |
| D3 receptor/Dopamine D3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL234] [GtoPdb: 216] [UniProtKB: P35462] | ||||||||
| ChEMBL | Radioligand Binding Assay: Membranes prepared as above were resuspended to 1 ug protein/ul (measured by Bradford assay using BSA as standard), and 50 ul were added to each well of a polypropylene 96-well plate containing (per well): 50 ul of buffer (20 mM HEPES, 10 mM MgCl2, 1 mM EDTA, 1 mM EGTA, 100 mM N-methyl-D-gluconate, pH 7.4), 50 ul of 1.5 nM [3H]N-methylspiperone (final concentration 0.3 nM) and reference or D2 test ligand at various concentrations ranging from 50 uM to 50 uM (final concentrations ranging from 10 uM to 10 uM, triplicate determinations for each concentration of D2 test ligand). After a 1.5-hr incubation in the dark at room temperature, the reactions were harvested onto 0.3% PEI-soaked Filtermax GF/A filters (Wallac) and washed three times with ice-cold 50 mM Tris, pH 7.4 using a Perkin-Elmer Filtermate 96-well harvester. The filters were subsequently dried, placed on a hot plate (100° C.), and Melitilex-A (Wallac) scintillant was applied. | B | 7.72 | pKi | 19 | nM | Ki | US-9156822-B2. Functionally selective ligands of dopamine D2 receptors (2015) |
| ChEMBL | Binding affinity to dopamine D3 receptor (unknown origin) | B | 7.97 | pKi | 10.8 | nM | Ki | Bioorg Med Chem Lett (2021) 40: 127909-127909 [PMID:33705900] |
| ChEMBL | Binding affinity to dopamine D3 receptor (unknown origin) by PDSP assay | B | 8 | pKi | 10 | nM | Ki | Medchemcomm (2012) 3: 580-583 |
| ChEMBL | Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor by liquid scintillation counting | B | 8.01 | pKi | 9.7 | nM | Ki | Bioorg Med Chem (2021) 30: 115943-115943 [PMID:33338898] |
| ChEMBL | Displacement of [3H]-methylspiperone from human dopamine D3 receptor expressed in HEK293 after 1 hr | B | 8.01 | pKi | 9.7 | nM | Ki | Eur J Med Chem (2013) 60: 42-50 [PMID:23279866] |
| ChEMBL | Displacement of [3H]N-methylspiperone from human dopamine D3 receptor incubated for 1 hr by liquid scintillation counting method | B | 8.01 | pKi | 9.7 | nM | Ki | Eur J Med Chem (2021) 214: 113243-113243 [PMID:33582388] |
| ChEMBL | Displacement of [3H]N-methylspiperone from human D3 receptor expressed in cell membranes after 1 hr by liquid scintillation counting | B | 8.01 | pKi | 9.7 | nM | Ki | Bioorg Med Chem (2016) 24: 3464-3471 [PMID:27312422] |
| ChEMBL | Displacement of [125I]ABN from human recombinant D3 receptor expressed in HEK cells after 60 mins by gamma counter | B | 8.17 | pKi | 6.8 | nM | Ki | Bioorg Med Chem (2011) 19: 3502-3511 [PMID:21536445] |
| ChEMBL | Displacement of [3H]spiperone from human dopamine D3 expressed in CHO cell membrane | B | 8.35 | pKi | 4.47 | nM | Ki | J Med Chem (2007) 50: 489-500 [PMID:17266201] |
| ChEMBL | Displacement of [3H]-SCH23390 from D3 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation counting method | B | 8.4 | pKi | 4.02 | nM | Ki | J Med Chem (2021) 64: 17239-17258 [PMID:34797051] |
| ChEMBL | Displacement of [3H]-SCH23390 from D3 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation counting method | B | 8.4 | pKi | 3.98 | nM | Ki | J Med Chem (2021) 64: 17239-17258 [PMID:34797051] |
| ChEMBL | Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells | B | 8.4 | pKi | 3.98 | nM | Ki | J Med Chem (2007) 50: 5103-5108 [PMID:17880057] |
| ChEMBL | Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D3 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation counting analysis | B | 8.45 | pKi | 3.57 | nM | Ki | J Med Chem (2017) 60: 2890-2907 [PMID:28300398] |
| ChEMBL | Displacement of [3H]7OH-DPAT from dopamine D3 receptor expressed in Sf9 cells by scintillation spectrometry | B | 8.48 | pKi | 3.3 | nM | Ki | J Med Chem (2009) 52: 151-169 [PMID:19072656] |
| ChEMBL | Binding affinity to dopamine D3 receptor (unknown origin) | B | 8.48 | pKi | 3.3 | nM | Ki | J Med Chem (2014) 57: 9578-9597 [PMID:25343529] |
| ChEMBL | Displacement of [3H]Spiperone from human dopamine D3 receptor expressed in CHO cells by competitive binding assay | B | 8.52 | pKi | 3 | nM | Ki | J Med Chem (2014) 57: 4861-4875 [PMID:24831693] |
| ChEMBL | Displacement of [3H]spiperone from human D3R expressed in CHO cell membranes | B | 8.54 | pKi | 2.9 | nM | Ki | Bioorg Med Chem (2017) 25: 5613-5628 [PMID:28870802] |
| ChEMBL | Displacement of [3H]spiperone from human D3R expressed in CHO cell membranes by radioligand binding assay | B | 8.54 | pKi | 2.9 | nM | Ki | J Med Chem (2017) 60: 4693-4713 [PMID:28489379] |
| ChEMBL | Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by MicroBeta scintillation counting method | B | 8.63 | pKi | 2.34 | nM | Ki | J Med Chem (2021) 64: 15313-15333 [PMID:34636551] |
| ChEMBL | Displacement of [3H]spiperone from human Dopamine D3 receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis | B | 8.64 | pKi | 2.3 | nM | Ki | J Med Chem (2017) 60: 2908-2929 [PMID:28248104] |
| ChEMBL | Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cells | B | 9 | pKi | 1 | nM | Ki | J Med Chem (2015) 58: 5361-5380 [PMID:25826710] |
| ChEMBL | Agonist activity at human dopamine D3 receptor transiently expressed in HEK293 cells co-expressing Galphao1 after 30 mins by [35S]GTPgammaS binding assay | F | 7.7 | pEC50 | 20 | nM | EC50 | J Med Chem (2014) 57: 4861-4875 [PMID:24831693] |
| ChEMBL | Agonist activity at human Dopamine D3 receptor expressed in HEK293T cell membranes coexpressing GalphaoA incubated for 30 mins measured after 75 mins by [35S]GTPgammaS binding assay | F | 7.7 | pEC50 | 20 | nM | EC50 | J Med Chem (2017) 60: 2908-2929 [PMID:28248104] |
| ChEMBL | Agonist activity at human dopamine D3 receptor transiently expressed in HEK293 cells co-expressing Galphao1 after 30 mins by [35S]GTPgammaS binding assay | F | 7.71 | pEC50 | 19.5 | nM | EC50 | J Med Chem (2014) 57: 4861-4875 [PMID:24831693] |
| ChEMBL | Agonist activity at human Dopamine D3 receptor expressed in HEK293T cell membranes coexpressing GalphaoA incubated for 30 mins measured after 75 mins by [35S]GTPgammaS binding assay | F | 7.71 | pEC50 | 19.5 | nM | EC50 | J Med Chem (2017) 60: 2908-2929 [PMID:28248104] |
| D3 receptor/Dopamine D3 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3138] [GtoPdb: 216] [UniProtKB: P19020] | ||||||||
| ChEMBL | Receptor Assay: Competitive binding test for receptors: 20 μl of each of the test compounds and 20 μl of the radioactive ligand together with 160 μl of the receptor proteins were added into the reaction tubes, and the final concentrations of the test compound and the positive drug were all 10 μmol/L. After 50 min of incubation in 30° C. water bath, the tubes were immediately moved to ice bath to terminate the reactions. GF/C glass fiber filter papers were used for rapid sucking filtration on a Millipore cell sample collector, elution buffer (50 mM Tris-HCl, PH 7.4) was applied for 3 ml×3 times, and microwave was applied for 4-5 min for drying. The filter papers were moved into 0.5 ml centrifuge tubes, and 500 μl of lipid-soluble scintillation solution was added. The tubes were allowed to stand still for over 30 min in dark, and the intensities of radioactivity were measured by a counter. | B | 7.42 | pIC50 | 37.9 | nM | IC50 | US-9018213-B2. Alicyclic[c] benzopyrone derivatives and uses thereof (2015) |
| D4 receptor/Dopamine D4 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL219] [GtoPdb: 217] [UniProtKB: P21917] | ||||||||
| ChEMBL | Binding affinity to dopamine D4 receptor (unknown origin) by PDSP assay | B | 6 | pKi | 1000 | nM | Ki | Medchemcomm (2012) 3: 580-583 |
| ChEMBL | Displacement of [3H]-N-methylspiperone from human dopamine D4 receptor by liquid scintillation counting | B | 6.29 | pKi | 510 | nM | Ki | Bioorg Med Chem (2021) 30: 115943-115943 [PMID:33338898] |
| ChEMBL | Displacement of [3H]N-methylspiperone from human dopamine D4 receptor incubated for 1 hr by liquid scintillation counting method | B | 6.29 | pKi | 510 | nM | Ki | Eur J Med Chem (2021) 214: 113243-113243 [PMID:33582388] |
| ChEMBL | Radioligand Binding Assay: Membranes prepared as above were resuspended to 1 ug protein/ul (measured by Bradford assay using BSA as standard), and 50 ul were added to each well of a polypropylene 96-well plate containing (per well): 50 ul of buffer (20 mM HEPES, 10 mM MgCl2, 1 mM EDTA, 1 mM EGTA, 100 mM N-methyl-D-gluconate, pH 7.4), 50 ul of 1.5 nM [3H]N-methylspiperone (final concentration 0.3 nM) and reference or D2 test ligand at various concentrations ranging from 50 uM to 50 uM (final concentrations ranging from 10 uM to 10 uM, triplicate determinations for each concentration of D2 test ligand). After a 1.5-hr incubation in the dark at room temperature, the reactions were harvested onto 0.3% PEI-soaked Filtermax GF/A filters (Wallac) and washed three times with ice-cold 50 mM Tris, pH 7.4 using a Perkin-Elmer Filtermate 96-well harvester. The filters were subsequently dried, placed on a hot plate (100° C.), and Melitilex-A (Wallac) scintillant was applied. | B | 6.6 | pKi | 251 | nM | Ki | US-9156822-B2. Functionally selective ligands of dopamine D2 receptors (2015) |
| ChEMBL | Displacement of [125I]ABN from human recombinant D4 receptor expressed in HEK cells after 60 mins by gamma counter | B | 6.77 | pKi | 168 | nM | Ki | Bioorg Med Chem (2011) 19: 3502-3511 [PMID:21536445] |
| ChEMBL | Displacement of [3H]-SCH23390 from D4 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation counting method | B | 7 | pKi | 100.8 | nM | Ki | J Med Chem (2021) 64: 17239-17258 [PMID:34797051] |
| ChEMBL | Displacement of [3H]-SCH23390 from D4 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation counting method | B | 7 | pKi | 100 | nM | Ki | J Med Chem (2021) 64: 17239-17258 [PMID:34797051] |
| ChEMBL | Displacement of [3H]spiperone from human dopamine D4.4 receptor expressed in CHO cells | B | 7 | pKi | 100 | nM | Ki | J Med Chem (2007) 50: 5103-5108 [PMID:17880057] |
| ChEMBL | Displacement of [3H]spiperone from human Dopamine D4 receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis | B | 7.09 | pKi | 81 | nM | Ki | J Med Chem (2017) 60: 2908-2929 [PMID:28248104] |
| ChEMBL | Displacement of [3H]Spiperone from human dopamine D4.4 receptor expressed in CHO cells by competitive binding assay | B | 7.09 | pKi | 81 | nM | Ki | J Med Chem (2014) 57: 4861-4875 [PMID:24831693] |
| ChEMBL | Displacement of [3H]spiperone from human D4R expressed in CHO cell membranes | B | 7.2 | pKi | 63 | nM | Ki | Bioorg Med Chem (2017) 25: 5613-5628 [PMID:28870802] |
| ChEMBL | Displacement of [3H]spiperone from human D4R expressed in CHO cell membranes by radioligand binding assay | B | 7.2 | pKi | 63 | nM | Ki | J Med Chem (2017) 60: 4693-4713 [PMID:28489379] |
| ChEMBL | Displacement of [3H]spiperone from human dopamine D4.4 expressed in CHO cell membrane | B | 7.24 | pKi | 57.54 | nM | Ki | J Med Chem (2007) 50: 489-500 [PMID:17266201] |
| ChEMBL | Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in HEK293 cells | B | 7.24 | pKi | 57.1 | nM | Ki | J Med Chem (2015) 58: 5361-5380 [PMID:25826710] |
| D4 receptor/Dopamine D4 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3361] [GtoPdb: 217] [UniProtKB: P30729] | ||||||||
| ChEMBL | Displacement of [3H]N-methylspiperone from rat D4 receptor expressed in cell membranes after 1 hr by liquid scintillation counting | B | 6.29 | pKi | 510 | nM | Ki | Bioorg Med Chem (2016) 24: 3464-3471 [PMID:27312422] |
| GtoPdb | - | - | 7.3 | pKi | - | - | - | Mol Pharmacol (2000) 57: 144-52 [PMID:10617689] |
| D5 receptor/Dopamine D5 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1850] [GtoPdb: 218] [UniProtKB: P21918] | ||||||||
| ChEMBL | Displacement of [3H]SCH23390 from human D5R expressed in HEK293T cell membranes by radioligand binding assay | B | 5.8 | pKi | 1600 | nM | Ki | J Med Chem (2017) 60: 4693-4713 [PMID:28489379] |
| ChEMBL | Displacement of [3H]SCH23390 from human D5R expressed in HEK293T cell membranes | B | 5.8 | pKi | 1600 | nM | Ki | Bioorg Med Chem (2017) 25: 5613-5628 [PMID:28870802] |
| ChEMBL | Radioligand Binding Assay: Membranes prepared as above were resuspended to 1 ug protein/ul (measured by Bradford assay using BSA as standard), and 50 ul were added to each well of a polypropylene 96-well plate containing (per well): 50 ul of buffer (20 mM HEPES, 10 mM MgCl2, 1 mM EDTA, 1 mM EGTA, 100 mM N-methyl-D-gluconate, pH 7.4), 50 ul of 1.5 nM [3H]N-methylspiperone (final concentration 0.3 nM) and reference or D2 test ligand at various concentrations ranging from 50 uM to 50 uM (final concentrations ranging from 10 uM to 10 uM, triplicate determinations for each concentration of D2 test ligand). After a 1.5-hr incubation in the dark at room temperature, the reactions were harvested onto 0.3% PEI-soaked Filtermax GF/A filters (Wallac) and washed three times with ice-cold 50 mM Tris, pH 7.4 using a Perkin-Elmer Filtermate 96-well harvester. The filters were subsequently dried, placed on a hot plate (100° C.), and Melitilex-A (Wallac) scintillant was applied. | B | 5.98 | pKi | 1051 | nM | Ki | US-9156822-B2. Functionally selective ligands of dopamine D2 receptors (2015) |
| ChEMBL | Binding affinity to dopamine D5 receptor (unknown origin) by PDSP assay | B | 6 | pKi | >1000 | nM | Ki | Medchemcomm (2012) 3: 580-583 |
| Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809] | ||||||||
| ChEMBL | Binding affinity to human ERG expressed in HEK293 cells by whole cell patch clamp method | B | 5.99 | pKi | 1020 | nM | Ki | J Med Chem (2009) 52: 151-169 [PMID:19072656] |
| ChEMBL | Binding affinity to human ERG expressed in HEK293 cells | B | 5.99 | pKi | 1020 | nM | Ki | J Med Chem (2010) 53: 4803-4807 [PMID:20481570] |
| ChEMBL | Displacement of [3H]dofetilide from human ERG | B | 6.22 | pKi | 598 | nM | Ki | Bioorg Med Chem Lett (2010) 20: 5666-5669 [PMID:20801650] |
| ChEMBL | Inhibition of human ERG after 10 mins | B | 5.41 | pIC50 | 3860 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 3141-3147 [PMID:27173799] |
| ChEMBL | Inhibition of human ERG by auomated patch clamp assay | B | 5.41 | pIC50 | 3860 | nM | IC50 | Eur J Med Chem (2018) 145: 74-85 [PMID:29324345] |
| ChEMBL | Inhibition of human ERG | B | 6 | pIC50 | <1000 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 7312-7316 [PMID:21055935] |
| ChEMBL | Inhibition of human ERG by automated patch method relative to control | B | 6.05 | pIC50 | 896.5 | nM | IC50 | Bioorg Med Chem Lett (2021) 40: 127909-127909 [PMID:33705900] |
| ChEMBL | Inhibition of human ERG expressed in HEK293 cells by whole-cell patch clamp method | B | 6.05 | pIC50 | 896 | nM | IC50 | Eur J Med Chem (2020) 207: 112709-112709 [PMID:32877805] |
| ChEMBL | Inhibition of human ERG | B | 6.2 | pIC50 | 630.96 | nM | IC50 | Eur J Med Chem (2011) 46: 618-630 [PMID:21185626] |
| H1 receptor/Histamine H1 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL231] [GtoPdb: 262] [UniProtKB: P35367] | ||||||||
| ChEMBL | Binding affinity to H1 histamine receptor (unknown origin) by PDSP assay | B | 7 | pKi | 100 | nM | Ki | Medchemcomm (2012) 3: 580-583 |
| ChEMBL | Binding affinity to H1 histamine receptor (unknown origin) | B | 7.21 | pKi | 61 | nM | Ki | Bioorg Med Chem Lett (2021) 31: 127681-127681 [PMID:33189775] |
| GtoPdb | - | - | 7.5 | pKi | - | - | - | Neuropsychopharmacology (2003) 28: 519-26 [PMID:12629531] |
| ChEMBL | Displacement of [3H]Pyrilamine from human H1 receptor expressed in cell membranes after 1 hr by liquid scintillation counting | B | 7.6 | pKi | 25.1 | nM | Ki | Bioorg Med Chem (2016) 24: 3464-3471 [PMID:27312422] |
| ChEMBL | Antagonistic activity at histamine1 receptor (unknown origin) after 10 mins by FLIPR assay | B | 6.38 | pIC50 | 420 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 3141-3147 [PMID:27173799] |
| ChEMBL | Antagonistic activity at histamine 1 receptor (unknown origin) after 10 mins by FLIPR assay | F | 6.38 | pIC50 | 420 | nM | IC50 | Bioorg Med Chem Lett (2018) 28: 606-611 [PMID:29395980] |
| ChEMBL | Antagonist activity at histamine H1 receptor (unknown origin) after 10 mins by calcium 5 dye based FLIPR assay | F | 6.38 | pIC50 | 420 | nM | IC50 | Eur J Med Chem (2018) 145: 74-85 [PMID:29324345] |
| H1 receptor/Histamine H1 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4701] [GtoPdb: 262] [UniProtKB: P31390] | ||||||||
| ChEMBL | Displacement of [3H]mepyramine from H1R in rat brain | B | 5.52 | pIC50 | >3000 | nM | IC50 | Proc Natl Acad Sci U S A (2007) 104: 3456-3459 [PMID:17360666] |
| Histamine H1 receptor in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3943] [UniProtKB: P31389] | ||||||||
| ChEMBL | Displacement of [3H]pyrilamine from histaminergic H1 receptor guinea pig cerebellum | B | 7 | pKi | 100 | nM | Ki | J Med Chem (2007) 50: 5103-5108 [PMID:17880057] |
| H3 receptor/Histamine H3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL264] [GtoPdb: 264] [UniProtKB: Q9Y5N1] | ||||||||
| ChEMBL | Binding affinity to histamine H3 receptor (unknown origin) | B | 5.63 | pKi | 2361 | nM | Ki | Bioorg Med Chem Lett (2021) 40: 127909-127909 [PMID:33705900] |
| Histone H1.0 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3707465] [UniProtKB: P07305] | ||||||||
| ChEMBL | Binding Assay: Binding assay using 5-HT2A, Dopamine D2, SERT, αA1, 5-HT2C and H1 Receptors. | B | 7.55 | pKi | 28 | nM | Ki | US-8598119-B2. Methods and compositions for sleep disorders and other disorders (2013) |
| M1 receptor/Muscarinic acetylcholine receptor M1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL216] [GtoPdb: 13] [UniProtKB: P11229] | ||||||||
| ChEMBL | Binding affinity to M1 receptor (unknown origin) by PDSP assay | B | 6 | pKi | >1000 | nM | Ki | Medchemcomm (2012) 3: 580-583 |
| M2 receptor/Muscarinic acetylcholine receptor M2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL211] [GtoPdb: 14] [UniProtKB: P08172] | ||||||||
| ChEMBL | Binding affinity to M2 receptor (unknown origin) by PDSP assay | B | 6 | pKi | >1000 | nM | Ki | Medchemcomm (2012) 3: 580-583 |
| M3 receptor/Muscarinic acetylcholine receptor M3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL245] [GtoPdb: 15] [UniProtKB: P20309] | ||||||||
| ChEMBL | Binding affinity to M3 receptor (unknown origin) by PDSP assay | B | 6 | pKi | >1000 | nM | Ki | Medchemcomm (2012) 3: 580-583 |
| ChEMBL | Antagonist activity at M3 receptor (unknown origin) after 10 mins by calcium 5 dye based FLIPR assay | F | 4 | pIC50 | >100000 | nM | IC50 | Eur J Med Chem (2018) 145: 74-85 [PMID:29324345] |
| M4 receptor/Muscarinic acetylcholine receptor M4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1821] [GtoPdb: 16] [UniProtKB: P08173] | ||||||||
| ChEMBL | Binding affinity to M4 receptor (unknown origin) by PDSP assay | B | 6 | pKi | >1000 | nM | Ki | Medchemcomm (2012) 3: 580-583 |
| M5 receptor/Muscarinic acetylcholine receptor M5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2035] [GtoPdb: 17] [UniProtKB: P08912] | ||||||||
| ChEMBL | Binding affinity to M5 receptor (unknown origin) by PDSP assay | B | 6 | pKi | >1000 | nM | Ki | Medchemcomm (2012) 3: 580-583 |
| ABCB1/P-glycoprotein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4302] [GtoPdb: 768] [UniProtKB: P08183] | ||||||||
| ChEMBL | Inhibition of human ABCB1-mediated rhodamine 123 efflux in mouse L5178 cells expressing human MDR1 after 20 mins by FACS analysis | B | 6.11 | pIC50 | 780 | nM | IC50 | J Med Chem (2011) 54: 1740-1751 [PMID:21341745] |
| 5-HT1A receptor/Serotonin 1a (5-HT1a) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL214] [GtoPdb: 1] [UniProtKB: P08908] | ||||||||
| ChEMBL | Displacement of [3H]-8-OH-DPAT from human 5-HT1AR expressed in HEK293 cell membranes after 1 hr by microbeta counting method | B | 7.52 | pKi | 30 | nM | Ki | Eur J Med Chem (2018) 145: 790-804 [PMID:29407591] |
| ChEMBL | Binding affinity to 5-HT1A receptor (unknown origin) | B | 7.7 | pKi | 19.8 | nM | Ki | Bioorg Med Chem Lett (2021) 40: 127909-127909 [PMID:33705900] |
| ChEMBL | Radioligand Binding Assay: Membranes prepared as above were resuspended to 1 ug protein/ul (measured by Bradford assay using BSA as standard), and 50 ul were added to each well of a polypropylene 96-well plate containing (per well): 50 ul of buffer (20 mM HEPES, 10 mM MgCl2, 1 mM EDTA, 1 mM EGTA, 100 mM N-methyl-D-gluconate, pH 7.4), 50 ul of 1.5 nM [3H]N-methylspiperone (final concentration 0.3 nM) and reference or D2 test ligand at various concentrations ranging from 50 uM to 50 uM (final concentrations ranging from 10 uM to 10 uM, triplicate determinations for each concentration of D2 test ligand). After a 1.5-hr incubation in the dark at room temperature, the reactions were harvested onto 0.3% PEI-soaked Filtermax GF/A filters (Wallac) and washed three times with ice-cold 50 mM Tris, pH 7.4 using a Perkin-Elmer Filtermate 96-well harvester. The filters were subsequently dried, placed on a hot plate (100° C.), and Melitilex-A (Wallac) scintillant was applied. | B | 7.74 | pKi | 18 | nM | Ki | US-9156822-B2. Functionally selective ligands of dopamine D2 receptors (2015) |
| ChEMBL | Displacement of [3H]-LSD from 5HT1A receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation counting method | B | 7.88 | pKi | 13.3 | nM | Ki | J Med Chem (2021) 64: 17239-17258 [PMID:34797051] |
| ChEMBL | Displacement of [3H]-LSD from 5HT1A receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation counting method | B | 7.88 | pKi | 13.18 | nM | Ki | J Med Chem (2021) 64: 17239-17258 [PMID:34797051] |
| ChEMBL | Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells | B | 7.99 | pKi | 10.3 | nM | Ki | Bioorg Med Chem Lett (2011) 21: 2621-2625 [PMID:21353774] |
| ChEMBL | Binding affinity to serotonin 5-HT1A receptor (unknown origin) by PDSP assay | B | 8 | pKi | 10 | nM | Ki | Medchemcomm (2012) 3: 580-583 |
| ChEMBL | Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells | B | 8.1 | pKi | 7.94 | nM | Ki | J Med Chem (2007) 50: 5103-5108 [PMID:17880057] |
| ChEMBL | Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells | B | 8.15 | pKi | 7 | nM | Ki | Bioorg Med Chem Lett (2010) 20: 5666-5669 [PMID:20801650] |
| GtoPdb | - | - | 8.2 | pKi | - | - | - | Neuropsychopharmacology (2003) 28: 1400-11 [PMID:12784105] |
| ChEMBL | Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor by liquid scintillation counting | B | 8.25 | pKi | 5.6 | nM | Ki | Bioorg Med Chem (2021) 30: 115943-115943 [PMID:33338898] |
| ChEMBL | Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor incubated for 1 hr by liquid scintillation counting method | B | 8.25 | pKi | 5.6 | nM | Ki | Eur J Med Chem (2021) 214: 113243-113243 [PMID:33582388] |
| ChEMBL | Binding affinity to 5HT1A receptor (unknown origin) | B | 8.25 | pKi | 5.6 | nM | Ki | J Med Chem (2014) 57: 9578-9597 [PMID:25343529] |
| ChEMBL | Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor expressed in cell membranes after 1 hr by liquid scintillation counting | B | 8.25 | pKi | 5.6 | nM | Ki | Bioorg Med Chem (2016) 24: 3464-3471 [PMID:27312422] |
| ChEMBL | Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in HEK293 after 1 hr | B | 8.25 | pKi | 5.6 | nM | Ki | Eur J Med Chem (2013) 60: 42-50 [PMID:23279866] |
| ChEMBL | Displacement of [3H]8-OH-DPAT from human 5HT1A receptor by radio ligand binding assay | B | 8.25 | pKi | 5.6 | nM | Ki | Bioorg Med Chem Lett (2019) 29: 126667-126667 [PMID:31547945] |
| ChEMBL | Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting analysis | B | 8.77 | pKi | 1.7 | nM | Ki | Eur J Med Chem (2019) 183: 111736-111736 [PMID:31586817] |
| ChEMBL | pERK High-Content Assay: Cell Culture: Chinese Hamster Ovary (CHO) cells stably expressing the hD2L dopamine receptor (Urban et al., Neuropsychopharmacology 32:67 (2007)) were maintained in Ham's F12 medium supplemented with 10% fetal bovine serum, 100 U/mL penicillin, 100 ug/mL streptomycin, and 0.5 ug/ml G418. On day 1 of the assay, cells were seeded onto black clear-bottom tissue culture-treated 96-well plates (Greiner, BioOne). On day 2 of the assay, cells were washed with serum-free medium (Ham's F-12, penicillin and streptomycin) and incubated in 100 uL serum-free medium overnight.Immunofluorescence: Automatic multichannel pipetters were used for liquid handling and multichannel vacuum manifolds for aspirations. Each tested concentration was typically measured in triplicate or quadruplicate. For concentration curves, half-log-dilutions were used. Drug dilutions were prepared in stimulation medium (serum-free medium, 100 mg/L ascorbic acid). | B | 6.35 | pEC50 | 450 | nM | EC50 | US-9156822-B2. Functionally selective ligands of dopamine D2 receptors (2015) |
| ChEMBL | Agonistic activity at human 5-HT1A receptor measured after 60 mins by Ultra Lance cAMP assay | F | 6.55 | pEC50 | 285 | nM | EC50 | Bioorg Med Chem Lett (2016) 26: 3141-3147 [PMID:27173799] |
| ChEMBL | Agonistic activity at human 5-HT1A receptor measured after 60 mins by Ultra Lance cAMP assay | F | 7.62 | pEC50 | 24 | nM | EC50 | Bioorg Med Chem Lett (2018) 28: 606-611 [PMID:29395980] |
| 5-HT1A receptor/Serotonin 1a (5-HT1a) receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL273] [GtoPdb: 1] [UniProtKB: P19327] | ||||||||
| ChEMBL | Displacement of [3H](+)8-OH-DPAT from rat cerebral cortex 5HT1A receptor measured after 30 mins by liquid scintillation counting method | B | 7.7 | pKi | 19.8 | nM | Ki | Eur J Med Chem (2020) 207: 112709-112709 [PMID:32877805] |
| ChEMBL | Displacement of [3H]8OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus by scintillation spectrometry | B | 8.25 | pKi | 5.6 | nM | Ki | J Med Chem (2009) 52: 151-169 [PMID:19072656] |
| ChEMBL | Displacement of [3H]8OH-DPAT from 5HT1A receptor in rat CRL:CD(SD)BR-COBS hippocampus by scintillation spectrometry | B | 8.25 | pKi | 5.6 | nM | Ki | J Med Chem (2010) 53: 4803-4807 [PMID:20481570] |
| ChEMBL | Displacement of [3H]-8-OH-DPAT from 5HT1A receptor in Wistar rat hippocampus homogenate | B | 9.4 | pKi | 0.4 | nM | Ki | Bioorg Med Chem (2010) 18: 1925-1935 [PMID:20153652] |
| ChEMBL | Receptor Binding Assay: Isotope ligand 3H-8-OH-DPAT (67.0 Ci/mmol) was purchased from PerkinElmer Company; 5-HT was purchased from RBI Company; GF/C glass fiber filter paper was purchased from Whatman Company; Tris was imported and divided into aliquots; PPO, POPOP were purchased from Shanghai No. 1 Reagent Factory; lipid-soluble scintillation solution. Beckman LS-6500 Multi-function Liquid Scintillation Counter was used.Procedures(1) The prepared membrane was first applied with appropriate amount of buffer (0.05 M Tris-HCl buffer, containing 0.1% ascorbic acid, 10 um pargyline and 4 mM CaCl2), and homogenizer was used for evenly dispersing. 15 tubes were mixed into a 100 ml container, and appropriate amount of homogenized liquid was added to give 50 ml of membrane suspension, which was reserved for future use.(2) 100 uL of membrane preparation and 100 uL of buffer (0.05 M Tris-HCl buffer, containing 0.1% ascorbic acid, 10 um pargyline and 4 mM CaCl2) were added into each reaction tube. | B | 8.47 | pIC50 | 3.35 | nM | IC50 | US-8993575-B2. [1,3,4] oxadiazole derivative and application thereof (2015) |
| 5-HT1B receptor/Serotonin 1b (5-HT1b) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1898] [GtoPdb: 2] [UniProtKB: P28222] | ||||||||
| ChEMBL | Binding affinity to serotonin 5-HT1B receptor (unknown origin) by PDSP assay | B | 6 | pKi | 1000 | nM | Ki | Medchemcomm (2012) 3: 580-583 |
| GtoPdb | - | - | 6.1 | pKi | - | - | - | Neuropsychopharmacology (2003) 28: 1400-11 [PMID:12784105] |
| 5-HT1D receptor/Serotonin 1d (5-HT1d) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1983] [GtoPdb: 3] [UniProtKB: P28221] | ||||||||
| ChEMBL | Binding affinity to serotonin 5-HT1D receptor (unknown origin) by PDSP assay | B | 7 | pKi | 100 | nM | Ki | Medchemcomm (2012) 3: 580-583 |
| GtoPdb | - | - | 7.2 | pKi | - | - | - | Neuropsychopharmacology (2003) 28: 1400-11 [PMID:12784105] |
| 5-ht1e receptor/Serotonin 1e (5-HT1e) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2182] [GtoPdb: 4] [UniProtKB: P28566] | ||||||||
| ChEMBL | Binding affinity to serotonin 5-HT1E receptor (unknown origin) by PDSP assay | B | 6 | pKi | >1000 | nM | Ki | Medchemcomm (2012) 3: 580-583 |
| 5-HT2A receptor/Serotonin 2a (5-HT2a) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL224] [GtoPdb: 6] [UniProtKB: P28223] | ||||||||
| ChEMBL | Displacement of [3H]-ketanserin from human 5-HT2AR expressed in CHO-K1 cell membranes after 1.5 hrs by microbeta counting method | B | 7.2 | pKi | 63 | nM | Ki | Eur J Med Chem (2018) 145: 790-804 [PMID:29407591] |
| ChEMBL | Radioligand Binding Assay: Membranes prepared as above were resuspended to 1 ug protein/ul (measured by Bradford assay using BSA as standard), and 50 ul were added to each well of a polypropylene 96-well plate containing (per well): 50 ul of buffer (20 mM HEPES, 10 mM MgCl2, 1 mM EDTA, 1 mM EGTA, 100 mM N-methyl-D-gluconate, pH 7.4), 50 ul of 1.5 nM [3H]N-methylspiperone (final concentration 0.3 nM) and reference or D2 test ligand at various concentrations ranging from 50 uM to 50 uM (final concentrations ranging from 10 uM to 10 uM, triplicate determinations for each concentration of D2 test ligand). After a 1.5-hr incubation in the dark at room temperature, the reactions were harvested onto 0.3% PEI-soaked Filtermax GF/A filters (Wallac) and washed three times with ice-cold 50 mM Tris, pH 7.4 using a Perkin-Elmer Filtermate 96-well harvester. The filters were subsequently dried, placed on a hot plate (100° C.), and Melitilex-A (Wallac) scintillant was applied. | B | 7.4 | pKi | 40 | nM | Ki | US-9156822-B2. Functionally selective ligands of dopamine D2 receptors (2015) |
| ChEMBL | Displacement of [3H]-LSD from 5HT2A receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation counting method | B | 7.4 | pKi | 39.81 | nM | Ki | J Med Chem (2021) 64: 17239-17258 [PMID:34797051] |
| ChEMBL | Displacement of [3H]-LSD from 5HT2A receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation counting method | B | 7.4 | pKi | 39.6 | nM | Ki | J Med Chem (2021) 64: 17239-17258 [PMID:34797051] |
| ChEMBL | Displacement of [3H]-ketanserin from human 5HT2A receptor expressed in HEK293 after 1.5 hrs | B | 7.68 | pKi | 21 | nM | Ki | Eur J Med Chem (2013) 60: 42-50 [PMID:23279866] |
| ChEMBL | Displacement of [3H]ketanserin from human 5HT2A receptor expressed in CHO cells | B | 7.8 | pKi | 15.85 | nM | Ki | J Med Chem (2007) 50: 5103-5108 [PMID:17880057] |
| ChEMBL | Binding affinity to 5-HT2A receptor (unknown origin) | B | 7.92 | pKi | 12.1 | nM | Ki | Bioorg Med Chem Lett (2021) 40: 127909-127909 [PMID:33705900] |
| ChEMBL | Binding affinity to serotonin 5-HT2A receptor (unknown origin) by PDSP assay | B | 8 | pKi | 10 | nM | Ki | Medchemcomm (2012) 3: 580-583 |
| ChEMBL | Binding affinity to human 5HT2A receptor | B | 8.02 | pKi | 9.6 | nM | Ki | Bioorg Med Chem Lett (2011) 21: 2621-2625 [PMID:21353774] |
| ChEMBL | Binding Assay: Binding assay using 5-HT2A, Dopamine D2, SERT, αA1, 5-HT2C and H1 Receptors. | B | 8.05 | pKi | 9 | nM | Ki | US-8598119-B2. Methods and compositions for sleep disorders and other disorders (2013) |
| ChEMBL | Displacement of [3H]-Ketanserin from human 5-HT2A receptor incubated for 1 hr by liquid scintillation counting method | B | 8.06 | pKi | 8.7 | nM | Ki | Eur J Med Chem (2021) 214: 113243-113243 [PMID:33582388] |
| ChEMBL | Displacement of [3H]Ketanserin from human 5-HT2A receptor expressed in cell membranes after 1 hr by liquid scintillation counting | B | 8.06 | pKi | 8.7 | nM | Ki | Bioorg Med Chem (2016) 24: 3464-3471 [PMID:27312422] |
| ChEMBL | Binding affinity to 5HT2A receptor (unknown origin) | B | 8.06 | pKi | 8.7 | nM | Ki | J Med Chem (2014) 57: 9578-9597 [PMID:25343529] |
| ChEMBL | Binding affinity to 5-HT2A receptor (unknown origin) | B | 8.06 | pKi | 8.7 | nM | Ki | Bioorg Med Chem Lett (2015) 25: 3970-3974 [PMID:26227779] |
| ChEMBL | Displacement of [3H]-ketanserin from human 5HT2A receptor by liquid scintillation counting | B | 8.06 | pKi | 8.7 | nM | Ki | Bioorg Med Chem (2021) 30: 115943-115943 [PMID:33338898] |
| GtoPdb | - | - | 8.1 | pKi | - | - | - |
Neuropsychopharmacology (2003) 28: 1400-11 [PMID:12784105]; Neuropsychopharmacology (2003) 28: 519-26 [PMID:12629531] |
| ChEMBL | Displacement of [3H]-ketanserin from human 5HT2A receptor expressed in HEK293 cells by competitive binding assay | B | 8.4 | pKi | 4 | nM | Ki | J Med Chem (2014) 57: 4861-4875 [PMID:24831693] |
| ChEMBL | Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in HEK293 cell membranes by radioligand competition binding assay | B | 8.4 | pKi | 4 | nM | Ki | Bioorg Med Chem (2015) 23: 6195-6209 [PMID:26299826] |
| ChEMBL | Binding affinity to human 5HT2A receptor | B | 8.4 | pKi | 4 | nM | Ki | Bioorg Med Chem Lett (2010) 20: 5666-5669 [PMID:20801650] |
| ChEMBL | Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis | B | 8.43 | pKi | 3.7 | nM | Ki | J Med Chem (2017) 60: 2908-2929 [PMID:28248104] |
| ChEMBL | Displacement of [3H]ketanserin from human 5-HT2AR expressed in HEK293T cell membranes1 | B | 8.44 | pKi | 3.6 | nM | Ki | Bioorg Med Chem (2017) 25: 5613-5628 [PMID:28870802] |
| ChEMBL | Displacement of [3H]ketanserin from human 5-HT2AR expressed in HEK293T cell membranes by radioligand binding assay | B | 8.44 | pKi | 3.6 | nM | Ki | J Med Chem (2017) 60: 4693-4713 [PMID:28489379] |
| ChEMBL | Displacement of [3H]-Ketanserin from human 5-HT2A receptor expressed in rat cortex tissue incubated for 30 mins by liquid scintillation counting method | B | 8.47 | pKi | 3.4 | nM | Ki | Eur J Med Chem (2019) 183: 111736-111736 [PMID:31586817] |
| ChEMBL | Binding affinity to 5-HT2A | B | 9.1 | pKi | 0.8 | nM | Ki | J Med Chem (2011) 54: 6305-6318 [PMID:21823597] |
| ChEMBL | Antagonistic activity at human 5-HT2A receptor assessed as calcium flux after 10 mins by FLIPR assay | F | 5.55 | pIC50 | 2790 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 3141-3147 [PMID:27173799] |
| ChEMBL | Antagonistic activity at human 5-HT2A receptor assessed as calcium flux after 10 mins by FLIPR assay | F | 5.96 | pIC50 | 1100 | nM | IC50 | Bioorg Med Chem Lett (2018) 28: 606-611 [PMID:29395980] |
| 5-HT2A receptor/Serotonin 2a (5-HT2a) receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL322] [GtoPdb: 6] [UniProtKB: P14842] | ||||||||
| GtoPdb | - | - | 7.7 | pKi | - | - | - | Neuropsychopharmacology (2003) 28: 1400-11 [PMID:12784105] |
| ChEMBL | Displacement of [3H]ketanserin from rat cerebral cortex 5HT2A receptor measured after 15 mins by liquid scintillation counting method | B | 7.92 | pKi | 12.1 | nM | Ki | Eur J Med Chem (2020) 207: 112709-112709 [PMID:32877805] |
| ChEMBL | Displacement of [3H]ketanserin from 5HT2A receptor in CRL:CD(SD)BR-COBS rat cortex by scintillation spectrometry | B | 8.06 | pKi | 8.7 | nM | Ki | J Med Chem (2009) 52: 151-169 [PMID:19072656] |
| ChEMBL | Displacement of [3H]ketanserin from 5HT2A receptor in CRL:CD(SD)BR-COBS rat cortex by scintillation spectrometry | B | 8.06 | pKi | 8.7 | nM | Ki | J Med Chem (2010) 53: 4803-4807 [PMID:20481570] |
| ChEMBL | Displacement of [3H]ketanserin from 5HT2A receptor in Wistar rat cortex homogenate | B | 8.15 | pKi | 7 | nM | Ki | Bioorg Med Chem (2010) 18: 1925-1935 [PMID:20153652] |
| ChEMBL | Receptor Binding Assay: Materials for the Receptor Binding AssayIsotope ligand [3H]-Ketanserin (67.0 Ci/mmol) was purchased from PerkinElmer Company; Methysergide was purchased from RBI Company; GF/C glass fiber filter paper was purchased from Whatman Company; Tris was imported and divided into aliquots; PPO, POPOP were purchased from Shanghai No. 1 Reagent Factory; lipid-soluble scintillation solution. Beckman LS-6500 Multi-function Liquid Scintillation Counter was used.Procedures(1) The prepared membrane was first applied with appropriate amount of buffer (0.05 M Tris-HCl buffer: 6.05 g of Tris was dissolved in 1000 ml of double-distilled water, and concentrated HCl was used to adjust to pH 7.5), and homogenizer was used for evenly dispersing. 15 tubes were mixed into a 100 ml container, and appropriate amount of homogenized liquid was added to give 50 ml of membrane suspension, which was reserved for future use.(2) 100 uL of membrane preparation and 100 uL of buffer. | B | 7.94 | pIC50 | 11.51 | nM | IC50 | US-8993575-B2. [1,3,4] oxadiazole derivative and application thereof (2015) |
| 5-HT2B receptor/Serotonin 2b (5-HT2b) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1833] [GtoPdb: 7] [UniProtKB: P41595] | ||||||||
| ChEMBL | Radioligand Binding Assay: Membranes prepared as above were resuspended to 1 ug protein/ul (measured by Bradford assay using BSA as standard), and 50 ul were added to each well of a polypropylene 96-well plate containing (per well): 50 ul of buffer (20 mM HEPES, 10 mM MgCl2, 1 mM EDTA, 1 mM EGTA, 100 mM N-methyl-D-gluconate, pH 7.4), 50 ul of 1.5 nM [3H]N-methylspiperone (final concentration 0.3 nM) and reference or D2 test ligand at various concentrations ranging from 50 uM to 50 uM (final concentrations ranging from 10 uM to 10 uM, triplicate determinations for each concentration of D2 test ligand). After a 1.5-hr incubation in the dark at room temperature, the reactions were harvested onto 0.3% PEI-soaked Filtermax GF/A filters (Wallac) and washed three times with ice-cold 50 mM Tris, pH 7.4 using a Perkin-Elmer Filtermate 96-well harvester. The filters were subsequently dried, placed on a hot plate (100° C.), and Melitilex-A (Wallac) scintillant was applied. | B | 8.85 | pKi | 1.4 | nM | Ki | US-9156822-B2. Functionally selective ligands of dopamine D2 receptors (2015) |
| ChEMBL | Displacement of [3H]LSD from 5HT2B receptor expressed in CHO cells | B | 8.9 | pKi | 1.26 | nM | Ki | J Med Chem (2007) 50: 5103-5108 [PMID:17880057] |
| ChEMBL | Displacement of [3H]LSD from human 5-HT2B receptor expressed in cell membranes after 1 hr by liquid scintillation counting | B | 9.44 | pKi | 0.36 | nM | Ki | Bioorg Med Chem (2016) 24: 3464-3471 [PMID:27312422] |
| 5-HT2C receptor/Serotonin 2c (5-HT2c) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL225] [GtoPdb: 8] [UniProtKB: P28335] | ||||||||
| ChEMBL | Binding affinity to serotonin 5-HT2C receptor (unknown origin) by PDSP assay | B | 6 | pKi | 1000 | nM | Ki | Medchemcomm (2012) 3: 580-583 |
| ChEMBL | Radioligand Binding Assay: Membranes prepared as above were resuspended to 1 ug protein/ul (measured by Bradford assay using BSA as standard), and 50 ul were added to each well of a polypropylene 96-well plate containing (per well): 50 ul of buffer (20 mM HEPES, 10 mM MgCl2, 1 mM EDTA, 1 mM EGTA, 100 mM N-methyl-D-gluconate, pH 7.4), 50 ul of 1.5 nM [3H]N-methylspiperone (final concentration 0.3 nM) and reference or D2 test ligand at various concentrations ranging from 50 uM to 50 uM (final concentrations ranging from 10 uM to 10 uM, triplicate determinations for each concentration of D2 test ligand). After a 1.5-hr incubation in the dark at room temperature, the reactions were harvested onto 0.3% PEI-soaked Filtermax GF/A filters (Wallac) and washed three times with ice-cold 50 mM Tris, pH 7.4 using a Perkin-Elmer Filtermate 96-well harvester. The filters were subsequently dried, placed on a hot plate (100° C.), and Melitilex-A (Wallac) scintillant was applied. | B | 6.6 | pKi | 250 | nM | Ki | US-9156822-B2. Functionally selective ligands of dopamine D2 receptors (2015) |
| ChEMBL | Displacement of [3H]-Mesulergine from human 5-HT2C receptor incubated for 1 hr by liquid scintillation counting method | B | 6.74 | pKi | 180 | nM | Ki | Eur J Med Chem (2021) 214: 113243-113243 [PMID:33582388] |
| ChEMBL | Displacement of [3H]-mesulergine from human 5HT2C receptor by liquid scintillation counting | B | 6.74 | pKi | 180 | nM | Ki | Bioorg Med Chem (2021) 30: 115943-115943 [PMID:33338898] |
| ChEMBL | Binding Assay: Binding assay using 5-HT2A, Dopamine D2, SERT, αA1, 5-HT2C and H1 Receptors. | B | 6.89 | pKi | 130 | nM | Ki | US-8598119-B2. Methods and compositions for sleep disorders and other disorders (2013) |
| ChEMBL | Displacement of [3H]-LSD from 5HT2C receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation counting method | B | 7.02 | pKi | 95.5 | nM | Ki | J Med Chem (2021) 64: 17239-17258 [PMID:34797051] |
| ChEMBL | Displacement of [3H]-LSD from 5HT2C receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation counting method | B | 7.02 | pKi | 95.4 | nM | Ki | J Med Chem (2021) 64: 17239-17258 [PMID:34797051] |
| ChEMBL | Displacement of [3H]mesulergine from 5HT2C receptor expressed in CHO cells | B | 7.3 | pKi | 50.12 | nM | Ki | J Med Chem (2007) 50: 5103-5108 [PMID:17880057] |
| GtoPdb | - | - | 7.6 | pKi | - | - | - | Neuropsychopharmacology (2003) 28: 519-26 [PMID:12629531] |
| ChEMBL | Binding affinity to 5HT2C receptor (unknown origin) | B | 7.66 | pKi | 22 | nM | Ki | J Med Chem (2014) 57: 9578-9597 [PMID:25343529] |
| ChEMBL | Displacement of [3H]mesulergine from human 5HT2C receptor in human tsA201 cells | B | 7.66 | pKi | 22 | nM | Ki | Bioorg Med Chem Lett (2010) 20: 5431-5433 [PMID:20719507] |
| ChEMBL | Antagonistic activity at 5-HT2c receptor (unknown origin) after 10 mins by FLIPR assay | B | 5.86 | pIC50 | 1380 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 3141-3147 [PMID:27173799] |
| ChEMBL | Antagonistic activity at 5-HT2c receptor (unknown origin) after 10 mins by FLIPR assay | F | 5.86 | pIC50 | 1380 | nM | IC50 | Bioorg Med Chem Lett (2018) 28: 606-611 [PMID:29395980] |
| ChEMBL | Antagonist activity at 5-HT2C receptor (unknown origin) after 10 mins by calcium 5 dye based FLIPR assay | F | 5.86 | pIC50 | 1380 | nM | IC50 | Eur J Med Chem (2018) 145: 74-85 [PMID:29324345] |
| 5-HT2C receptor/Serotonin 2c (5-HT2c) receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL324] [GtoPdb: 8] [UniProtKB: P08909] | ||||||||
| ChEMBL | Displacement of [3H]Mesulergine from rat 5-HT2C receptor expressed in cell membranes after 1 hr by liquid scintillation counting | B | 7.12 | pKi | 76 | nM | Ki | Bioorg Med Chem (2016) 24: 3464-3471 [PMID:27312422] |
| ChEMBL | Receptor Binding Assay: (1) The prepared membrane was first applied with appropriate amount of homogenized liquid, and homogenizer was used for evenly dispersing. 15 tubes were mixed into a 100 ml container, and appropriate amount of homogenized liquid was added to give 50 ml of membrane suspension, which was reserved for future use.(2) 100 uL of membrane preparation and 100 uL of buffer were added into each reaction tube.(3) 100 uL of homogenized liquid was added into the total binding tube (TB), 100 uL of mianserin (final concentration 10-5 M) was added into the non-specific binding tube (NB), and 100 uL of the test compound (final concentration 10-5 M) was added into the specific binding tube (SB) for each compound.(4) 10 uL of radioactive ligand [3H]-mesulergine was respectively added into each reaction tube (2 parallel tubes were used for each reaction tube, and each of them was placed on ice when adding sample).(5) Each of the reaction tubes was incubated at 37 degree. | B | 7.59 | pIC50 | 25.7 | nM | IC50 | US-9018213-B2. Alicyclic[c] benzopyrone derivatives and uses thereof (2015) |
| 5-HT3E/5-HT3B/5-HT3A/5-HT3D/5-HT3C/Serotonin 3 (5-HT3) receptor in Human (target type: PROTEIN COMPLEX GROUP) [ChEMBL: CHEMBL2094132] [GtoPdb: 377, 374, 373, 376, 375] [UniProtKB: A5X5Y0, O95264, P46098, Q70Z44, Q8WXA8] | ||||||||
| ChEMBL | Displacement of [3H]BLR-43694 from human 5HT3 receptor expressed in HEK293 cells | B | 6.3 | pKi | 501.19 | nM | Ki | J Med Chem (2007) 50: 5103-5108 [PMID:17880057] |
| 5-HT3A/Serotonin 3a (5-HT3a) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1899] [GtoPdb: 373] [UniProtKB: P46098] | ||||||||
| ChEMBL | Binding affinity to serotonin 5-HT3 receptor (unknown origin) by PDSP assay | B | 6 | pKi | 1000 | nM | Ki | Medchemcomm (2012) 3: 580-583 |
| 5-HT5A receptor/Serotonin 5a (5-HT5a) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3426] [GtoPdb: 10] [UniProtKB: P47898] | ||||||||
| ChEMBL | Binding affinity to serotonin 5-HT5A receptor (unknown origin) by PDSP assay | B | 6 | pKi | 1000 | nM | Ki | Medchemcomm (2012) 3: 580-583 |
| 5-HT6 receptor/Serotonin 6 (5-HT6) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3371] [GtoPdb: 11] [UniProtKB: P50406] | ||||||||
| ChEMBL | Binding affinity to serotonin 5-HT6 receptor (unknown origin) by PDSP assay | B | 6 | pKi | >1000 | nM | Ki | Medchemcomm (2012) 3: 580-583 |
| ChEMBL | Displacement of [3H]5-LSD from human 5HT6 receptor expressed in human HeLa cells | B | 6.24 | pKi | 574 | nM | Ki | Bioorg Med Chem Lett (2010) 20: 5431-5433 [PMID:20719507] |
| ChEMBL | Displacement of [3H]lysergic acid diethylamide from human recombinant 5HT6 receptor stably expressed in CHO cell membranes measured after 30 mins by liquid scintillation counting method | B | 6.5 | pKi | 318 | nM | Ki | Eur J Med Chem (2020) 207: 112709-112709 [PMID:32877805] |
| ChEMBL | Binding affinity to 5-HT6 receptor (unknown origin) | B | 6.5 | pKi | 318 | nM | Ki | Bioorg Med Chem Lett (2021) 40: 127909-127909 [PMID:33705900] |
| ChEMBL | Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells | B | 6.7 | pKi | 199.53 | nM | Ki | J Med Chem (2007) 50: 5103-5108 [PMID:17880057] |
| ChEMBL | Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 after 1 hr | B | 7.05 | pKi | 90 | nM | Ki | Eur J Med Chem (2013) 60: 42-50 [PMID:23279866] |
| ChEMBL | Displacement of [3H]-LSD from human 5-HT6R expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method | B | 7.05 | pKi | 89 | nM | Ki | Eur J Med Chem (2018) 145: 790-804 [PMID:29407591] |
| 5-HT6 receptor in Rat [GtoPdb: 11] [UniProtKB: P31388] | ||||||||
| GtoPdb | - | - | 6.8 | pKi | - | - | - | Neuropsychopharmacology (1999) 20: 612-27 [PMID:10327430] |
| 5-HT7 receptor/Serotonin 7 (5-HT7) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3155] [GtoPdb: 12] [UniProtKB: P34969] | ||||||||
| ChEMBL | Binding affinity to serotonin 5-HT7 receptor (unknown origin) by PDSP assay | B | 7 | pKi | 100 | nM | Ki | Medchemcomm (2012) 3: 580-583 |
| ChEMBL | Displacement of [3H]LSD from human 5HT7 receptor expressed in CHO cells | B | 7.2 | pKi | 63.1 | nM | Ki | J Med Chem (2007) 50: 5103-5108 [PMID:17880057] |
| ChEMBL | Displacement of [3H]-5-CT from human 5-HT7R expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method | B | 7.36 | pKi | 44 | nM | Ki | Eur J Med Chem (2018) 145: 790-804 [PMID:29407591] |
| ChEMBL | Displacement of [3H]-5-CT from human 5HT7 receptor expressed in HEK293 after 1 hr | B | 7.59 | pKi | 26 | nM | Ki | Eur J Med Chem (2013) 60: 42-50 [PMID:23279866] |
| ChEMBL | Binding affinity towards human 5-hydroxytryptamine 7 receptor | B | 7.85 | pKi | 14 | nM | Ki | J Med Chem (2003) 46: 2795-2812 [PMID:12825922] |
| ChEMBL | Displacement of [3H]-LSD from human 5-HT7 receptor incubated for 1 hr by liquid scintillation counting method | B | 7.99 | pKi | 10.3 | nM | Ki | Eur J Med Chem (2021) 214: 113243-113243 [PMID:33582388] |
| ChEMBL | Displacement of [3H]LSD from human 5-HT7 receptor expressed in cell membranes after 1 hr by liquid scintillation counting | B | 7.99 | pKi | 10.3 | nM | Ki | Bioorg Med Chem (2016) 24: 3464-3471 [PMID:27312422] |
| ChEMBL | Displacement of [3H]-LSD from human 5HT7 receptor by liquid scintillation counting | B | 7.99 | pKi | 10.3 | nM | Ki | Bioorg Med Chem (2021) 30: 115943-115943 [PMID:33338898] |
| 5-HT7 receptor/Serotonin 7 (5-HT7) receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3223] [GtoPdb: 12] [UniProtKB: P32305] | ||||||||
| ChEMBL | Displacement of [3H]5-CT from rat cerebral cortex 5HT7 receptor measured after 30 mins by liquid scintillation counting method | B | 7.05 | pKi | 89.4 | nM | Ki | Eur J Med Chem (2020) 207: 112709-112709 [PMID:32877805] |
| GtoPdb | - | - | 7.8 | pKi | - | - | - | Neuropsychopharmacology (1999) 20: 612-27 [PMID:10327430] |
| SERT/Serotonin transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL228] [GtoPdb: 928] [UniProtKB: P31645] | ||||||||
| ChEMBL | Displacement of [3H]Citalopram from human SERT expressed in cell membranes after 1 hr by liquid scintillation counting | B | 5.97 | pKi | 1080 | nM | Ki | Bioorg Med Chem (2016) 24: 3464-3471 [PMID:27312422] |
| ChEMBL | Displacement of [3H]-citalopram from human SERT by liquid scintillation counting | B | 5.97 | pKi | 1080 | nM | Ki | Bioorg Med Chem (2021) 30: 115943-115943 [PMID:33338898] |
| ChEMBL | Displacement of [3H]-citalopram from human SERT receptor incubated for 1 hr by liquid scintillation counting method | B | 5.97 | pKi | 1080 | nM | Ki | Eur J Med Chem (2021) 214: 113243-113243 [PMID:33582388] |
| ChEMBL | Binding Assay: Binding assay using 5-HT2A, Dopamine D2, SERT, αA1, 5-HT2C and H1 Receptors. | B | 6.62 | pKi | 240 | nM | Ki | US-8598119-B2. Methods and compositions for sleep disorders and other disorders (2013) |
| ChEMBL | Binding affinity to SERT | B | 7.01 | pKi | 98 | nM | Ki | J Med Chem (2011) 54: 6305-6318 [PMID:21823597] |
| ChEMBL | Displacement of [3H]paraxetine from human 5HT transporter expressed in HEK293 cells | B | 7.5 | pKi | 31.62 | nM | Ki | J Med Chem (2007) 50: 5103-5108 [PMID:17880057] |
| SERT/Serotonin transporter in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL313] [GtoPdb: 928] [UniProtKB: P31652] | ||||||||
| ChEMBL | Displacement of [3H]-citalopram from SERT in rat cerebral cortex after 1 hr by scintillation counting | B | 5.97 | pKi | 1080 | nM | Ki | Eur J Med Chem (2013) 60: 42-50 [PMID:23279866] |
ChEMBL data shown on this page come from version 33:
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]
