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ChEMBL ligand: CHEMBL964 (Antabuse, Disulfiram, Esperal, NSC-25953, ORA-102, ORA102) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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A3 receptor/Adenosine A3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8] | ||||||||
ChEMBL | DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA) | B | 6.7 | pKi | 201 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA) | B | 6.45 | pIC50 | 356 | nM | IC50 | DrugMatrix in vitro pharmacology data |
aldehyde dehydrogenase 2 family member/Aldehyde dehydrogenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1935] [GtoPdb: 2595] [UniProtKB: P05091] | ||||||||
ChEMBL | Inhibition of ALDH2 (unknown origin) | B | 5.47 | pIC50 | 3400 | nM | IC50 | Bioorg Med Chem Lett (2021) 40: 127958-127958 [PMID:33744437] |
aldehyde dehydrogenase 2 family member/Aldehyde dehydrogenase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2812] [GtoPdb: 2595] [UniProtKB: P11884] | ||||||||
ChEMBL | Inhibition of recombinant rat ALDH activity in liver mitochondria | B | 4.4 | pIC50 | 39810.72 | nM | IC50 | J Med Chem (2009) 52: 7310-7314 [PMID:19883085] |
GtoPdb | - | - | 4.44 | pIC50 | 36400 | nM | IC50 | Biochem Pharmacol (2000) 60: 947-53 [PMID:10974203] |
Aldehyde dehydrogenase 1A1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3577] [UniProtKB: P00352] | ||||||||
ChEMBL | Inhibition of ALDH1A1 (unknown origin) | B | 6.89 | pIC50 | 130 | nM | IC50 | Bioorg Med Chem Lett (2021) 40: 127958-127958 [PMID:33744437] |
α2A-adrenoceptor/Alpha-2a adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1867] [GtoPdb: 25] [UniProtKB: P08913] | ||||||||
ChEMBL | DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912) | B | 5.74 | pKi | 1839 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912) | B | 5.31 | pIC50 | 4904 | nM | IC50 | DrugMatrix in vitro pharmacology data |
α2B-adrenoceptor/Alpha-2b adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1942] [GtoPdb: 26] [UniProtKB: P18089] | ||||||||
ChEMBL | DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine) | B | 5.83 | pKi | 1469 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine) | B | 5.49 | pIC50 | 3218 | nM | IC50 | DrugMatrix in vitro pharmacology data |
Arachidonate 15-lipoxygenase in Rabbit (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4358] [UniProtKB: P12530] | ||||||||
ChEMBL | DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid) | B | 4.79 | pIC50 | 16066 | nM | IC50 | DrugMatrix in vitro pharmacology data |
Carbamate kinase in Giardia intestinalis (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4802003] [UniProtKB: O97438] | ||||||||
ChEMBL | Inhibition of Giardia lamblia carbamate Kinase preincubated for 15 mins followed by ADP and carbamate phosphate addition and measured after 20 mins by ATPLite reagent based luminescence assay | B | 6.22 | pIC50 | 600 | nM | IC50 | J Med Chem (2020) 63: 13330-13354 [PMID:32869995] |
CCR2/C-C chemokine receptor type 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4015] [GtoPdb: 59] [UniProtKB: P41597] | ||||||||
ChEMBL | DRUGMATRIX: Chemokine CCR2B radioligand binding (ligand: [125I] MCP-1) | B | 6.02 | pKi | 954 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Chemokine CCR2B radioligand binding (ligand: [125I] MCP-1) | B | 5.61 | pIC50 | 2468 | nM | IC50 | DrugMatrix in vitro pharmacology data |
CCR4/C-C chemokine receptor type 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2414] [GtoPdb: 61] [UniProtKB: P51679] | ||||||||
ChEMBL | DRUGMATRIX: Chemokine CCR4 radioligand binding (ligand: [125I] TARC) | B | 5.36 | pKi | 4397 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Chemokine CCR4 radioligand binding (ligand: [125I] TARC) | B | 5.08 | pIC50 | 8395 | nM | IC50 | DrugMatrix in vitro pharmacology data |
CCR5/C-C chemokine receptor type 5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL274] [GtoPdb: 62] [UniProtKB: P51681] | ||||||||
ChEMBL | DRUGMATRIX: Chemokine CCR5 radioligand binding (ligand: [125I] MIP-1alpha) | B | 4.74 | pKi | 18284 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Chemokine CCR5 radioligand binding (ligand: [125I] MIP-1alpha) | B | 4.63 | pIC50 | 23661 | nM | IC50 | DrugMatrix in vitro pharmacology data |
CYP1A2/Cytochrome P450 1A2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3356] [GtoPdb: 1319] [UniProtKB: P05177] | ||||||||
ChEMBL | DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) | B | 5.4 | pIC50 | 4000 | nM | IC50 | DrugMatrix in vitro pharmacology data |
D1 receptor/Dopamine D1 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2056] [GtoPdb: 214] [UniProtKB: P21728] | ||||||||
ChEMBL | DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390) | B | 5.97 | pKi | 1079 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390) | B | 5.67 | pIC50 | 2158 | nM | IC50 | DrugMatrix in vitro pharmacology data |
D2 receptor/Dopamine D2 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL217] [GtoPdb: 215] [UniProtKB: P14416] | ||||||||
ChEMBL | DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone) | B | 5.12 | pKi | 7673 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone) | B | 4.64 | pIC50 | 23018 | nM | IC50 | DrugMatrix in vitro pharmacology data |
D3 receptor/Dopamine D3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL234] [GtoPdb: 216] [UniProtKB: P35462] | ||||||||
ChEMBL | DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone) | B | 6.43 | pKi | 368 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone) | B | 5.96 | pIC50 | 1084 | nM | IC50 | DrugMatrix in vitro pharmacology data |
D4 receptor/Dopamine D4 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL219] [GtoPdb: 217] [UniProtKB: P21917] | ||||||||
ChEMBL | DRUGMATRIX: Dopamine D4.2 radioligand binding (ligand: [3H] Spiperone) | B | 5.96 | pKi | 1105 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Dopamine D4.2 radioligand binding (ligand: [3H] Spiperone) | B | 5.5 | pIC50 | 3150 | nM | IC50 | DrugMatrix in vitro pharmacology data |
DAT/Dopamine transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL238] [GtoPdb: 927] [UniProtKB: Q01959] | ||||||||
ChEMBL | DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55) | B | 5.43 | pKi | 3684 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55) | B | 5.33 | pIC50 | 4637 | nM | IC50 | DrugMatrix in vitro pharmacology data |
Fructose-1,6-bisphosphatase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3975] [UniProtKB: P09467] | ||||||||
ChEMBL | Inhibition of human liver FBPase C179S mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye based assay | B | 5.72 | pIC50 | 1900 | nM | IC50 | J Med Chem (2020) 63: 6238-6247 [PMID:32375478] |
ChEMBL | Inhibition of wild-type full-length human liver FBPase expressed in Escherichia coli BL21 (DE3) using FBP as substrate by malachite green dye based assay | B | 5.75 | pIC50 | 1780 | nM | IC50 | Eur J Med Chem (2020) 203: 112500-112500 [PMID:32711108] |
ChEMBL | Inhibition of human liver FBPase C183S mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye based assay | B | 5.82 | pIC50 | 1500 | nM | IC50 | J Med Chem (2020) 63: 6238-6247 [PMID:32375478] |
ChEMBL | Inhibition of wild-type full-length human liver FBPase expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye based assay | B | 5.82 | pIC50 | 1500 | nM | IC50 | J Med Chem (2020) 63: 6238-6247 [PMID:32375478] |
ChEMBL | Inhibition of human liver FBPase C116S mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye based assay | B | 5.89 | pIC50 | 1300 | nM | IC50 | J Med Chem (2020) 63: 6238-6247 [PMID:32375478] |
ChEMBL | Inhibition of human liver FBPase C92S mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye based assay | B | 5.92 | pIC50 | 1200 | nM | IC50 | J Med Chem (2020) 63: 6238-6247 [PMID:32375478] |
ChEMBL | Inhibition of human liver FBPase C281S mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye based assay | B | 5.96 | pIC50 | 1100 | nM | IC50 | J Med Chem (2020) 63: 6238-6247 [PMID:32375478] |
ChEMBL | Inhibition of human liver FBPase C38S mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye based assay | B | 6.22 | pIC50 | 600 | nM | IC50 | J Med Chem (2020) 63: 6238-6247 [PMID:32375478] |
Gasdermin-D in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523247] [UniProtKB: P57764] | ||||||||
ChEMBL | Inhibition of GSDMD in human monocyte/macrophages assessed as inhibition of pyroptosis in presence of Cu2+ | B | 6.4 | pIC50 | 400 | nM | IC50 | Medchemcomm (2019) 10: 660-667 [PMID:31191857] |
Gasdermin-D in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523446] [UniProtKB: Q9D8T2] | ||||||||
ChEMBL | Inhibition of GSDMD in mouse monocyte/macrophages assessed as inhibition of pyroptosis in presence of Cu2+ | B | 6.4 | pIC50 | 400 | nM | IC50 | Medchemcomm (2019) 10: 660-667 [PMID:31191857] |
euchromatic histone lysine methyltransferase 2/Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6032] [GtoPdb: 2652] [UniProtKB: Q96KQ7] | ||||||||
ChEMBL | Inhibition of wild type recombinant human histone lysine methyltransferase G9a (913 to 1193 residues) expressed in Escherichia coli Rosetta BL21 DE3 PlysS using ARTKQTARKSTGGKA as substrate preincubated for 5 mins followed by substrate/SAM addition measured after 60 mins by MALDI-TOF MS analysis | B | 6.22 | pIC50 | 600 | nM | IC50 | Bioorg Med Chem Lett (2018) 28: 1234-1238 [PMID:29519735] |
euchromatic histone lysine methyltransferase 1/Histone-lysine N-methyltransferase, H3 lysine-9 specific 5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6031] [GtoPdb: 2651] [UniProtKB: Q9H9B1] | ||||||||
ChEMBL | Inhibition of wild type recombinant human histone lysine methyltransferase GLP (951 to 1235 residues) expressed in Escherichia coli Rosetta BL21 DE3 PlysS using ARTKQTARKSTGGKA as substrate preincubated for 5 mins followed by substrate/SAM addition measured after 60 mins by MALDI-TOF MS analysis | B | 5.8 | pIC50 | 1600 | nM | IC50 | Bioorg Med Chem Lett (2018) 28: 1234-1238 [PMID:29519735] |
CXCR2/Interleukin-8 receptor B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2434] [GtoPdb: 69] [UniProtKB: P25025] | ||||||||
ChEMBL | DRUGMATRIX: Chemokine CXCR2 (IL-8B) radioligand binding (ligand: [125I] IL-8) | B | 5.38 | pKi | 4209 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Chemokine CXCR2 (IL-8B) radioligand binding (ligand: [125I] IL-8) | B | 5.22 | pIC50 | 6013 | nM | IC50 | DrugMatrix in vitro pharmacology data |
κ receptor/Kappa opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL237] [GtoPdb: 318] [UniProtKB: P41145] | ||||||||
ChEMBL | DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine) | B | 5.61 | pKi | 2441 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine) | B | 5.21 | pIC50 | 6103 | nM | IC50 | DrugMatrix in vitro pharmacology data |
lysine demethylase 5A/Lysine-specific demethylase 5A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2424504] [GtoPdb: 2680] [UniProtKB: P29375] | ||||||||
ChEMBL | Inhibition of JARID1A PHD finger domain (unknown origin) | B | 5 | pIC50 | 10000 | nM | IC50 | Eur J Med Chem (2017) 136: 14-35 [PMID:28478342] |
lysyl oxidase/Lysyl oxidase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2249] [GtoPdb: 3097] [UniProtKB: P28300] | ||||||||
ChEMBL | Inhibition of recombinant human LOX expressed in HEK293 cells using diaminopentane as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by fluorimetric method | B | 6.49 | pIC50 | 320 | nM | IC50 | Bioorg Med Chem Lett (2018) 28: 3113-3118 [PMID:30098867] |
lysyl oxidase like 2/Lysyl oxidase homolog 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3714029] [GtoPdb: 2853] [UniProtKB: Q9Y4K0] | ||||||||
ChEMBL | Inhibition of recombinant LOXL2 (unknown origin) expressed in NS0 cells using diaminopentane as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by fluorimetric method | B | 6.82 | pIC50 | 150 | nM | IC50 | Bioorg Med Chem Lett (2018) 28: 3113-3118 [PMID:30098867] |
Lysyl oxidase homolog 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4105989] [UniProtKB: P58215] | ||||||||
ChEMBL | Inhibition of recombinant human LOXL3 expressed in CHO cells using diaminopentane as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by fluorimetric method | B | 7.03 | pIC50 | 93 | nM | IC50 | Bioorg Med Chem Lett (2018) 28: 3113-3118 [PMID:30098867] |
Lysyl oxidase homolog 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4295926] [UniProtKB: Q96JB6] | ||||||||
ChEMBL | Inhibition of recombinant human LOXL4 expressed in baculovirus infected insect cells using diaminopentane as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by fluorimetric method | B | 7.23 | pIC50 | 59 | nM | IC50 | Bioorg Med Chem Lett (2018) 28: 3113-3118 [PMID:30098867] |
mitogen-activated protein kinase 3/MAP kinase ERK1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3385] [GtoPdb: 1494] [UniProtKB: P27361] | ||||||||
ChEMBL | DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein) | B | 5.82 | pIC50 | 1510 | nM | IC50 | DrugMatrix in vitro pharmacology data |
Monoamine oxidase A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1951] [GtoPdb: 2489] [UniProtKB: P21397] | ||||||||
ChEMBL | DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine) | B | 4.86 | pIC50 | 13734 | nM | IC50 | DrugMatrix in vitro pharmacology data |
monoacylglycerol lipase/Monoglyceride lipase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4191] [GtoPdb: 1399] [UniProtKB: Q99685] | ||||||||
ChEMBL | Inhibition of human MGL activity using [3H]2-oleoylglycerol substrate by liquid scintillation counting | B | 5.9 | pIC50 | 1258.93 | nM | IC50 | J Med Chem (2009) 52: 7310-7314 [PMID:19883085] |
ChEMBL | Inhibition of recombinant human N-terminal His6-tagged and C-terminal Strep-tagged MAGL expressed in Escherichia coli Rosetta using [3H]2-OG as substrate after 10 mins by liquid scintillation counting method | B | 6.44 | pIC50 | 360 | nM | IC50 | J Med Chem (2017) 60: 4-46 [PMID:27766867] |
μ receptor/Mu opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL233] [GtoPdb: 319] [UniProtKB: P35372] | ||||||||
ChEMBL | DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine) | B | 5.85 | pKi | 1425 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine) | B | 5.45 | pIC50 | 3511 | nM | IC50 | DrugMatrix in vitro pharmacology data |
NLRP3/NACHT, LRR and PYD domains-containing protein 3 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3779755] [GtoPdb: 1770] [UniProtKB: Q8R4B8] | ||||||||
ChEMBL | Inhibition of NLRP3 in mouse J774A.1 cells infected with FLA-ST assessed as inhibition of LPS- induced IL-1beta production by ELISA | B | 5.52 | pIC50 | 3000 | nM | IC50 | Eur J Med Chem (2021) 219: 113417-113417 [PMID:33845232] |
NET/Norepinephrine transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL222] [GtoPdb: 926] [UniProtKB: P23975] | ||||||||
ChEMBL | DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55) | B | 4.16 | pKi | 69812 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55) | B | 4.15 | pIC50 | 70370 | nM | IC50 | DrugMatrix in vitro pharmacology data |
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
ChEMBL | Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR green assay | F | 5 | pIC50 | 10000 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
ChEMBL | Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR green assay | F | 5.2 | pIC50 | 6309.57 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
ChEMBL | Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR green assay | F | 5.4 | pIC50 | 3981.07 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
ChEMBL | Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR green assay | F | 5.5 | pIC50 | 3162.28 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
ChEMBL | Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR green assay | F | 5.6 | pIC50 | 2511.89 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
Replicase polyprotein 1ab in Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4295557] [UniProtKB: K9N7C7] | ||||||||
ChEMBL | MERS_3CL Pro protease inhibition IC50 by FRET kind of response from peptide substrate | F | 4.57 | pIC50 | 26800 | nM | IC50 | Identification of inhibitors of SARS-Cov2 M-Pro enzymatic activity using a small molecule repurposing screen |
CoV Replicase polyprotein 1ab/CoV RNA-dependent RNA polymerase/CoV Non-structural protein 15/CoV Non-structural protein 13/Replicase polyprotein 1ab in Severe acute respiratory syndrome coronavirus 2 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523582] [GtoPdb: 3125, 3139, 3206, 3261] [UniProtKB: P0DTD1] | ||||||||
ChEMBL | SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate | F | 6.66 | pIC50 | 220 | nM | IC50 | Identification of inhibitors of SARS-Cov2 M-Pro enzymatic activity using a small molecule repurposing screen |
5-HT1B receptor/Serotonin 1b (5-HT1b) receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3459] [GtoPdb: 2] [UniProtKB: P28564] | ||||||||
ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol) | B | 5.67 | pKi | 2145 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol) | B | 5.33 | pIC50 | 4720 | nM | IC50 | DrugMatrix in vitro pharmacology data |
5-HT2B receptor/Serotonin 2b (5-HT2b) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1833] [GtoPdb: 7] [UniProtKB: P41595] | ||||||||
ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide) | B | 4.66 | pKi | 21984 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide) | B | 4.46 | pIC50 | 34547 | nM | IC50 | DrugMatrix in vitro pharmacology data |
5-HT6 receptor/Serotonin 6 (5-HT6) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3371] [GtoPdb: 11] [UniProtKB: P50406] | ||||||||
ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide) | B | 5.13 | pKi | 7429 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide) | B | 4.8 | pIC50 | 16001 | nM | IC50 | DrugMatrix in vitro pharmacology data |
TRPA1/Transient receptor potential cation channel subfamily A member 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6007] [GtoPdb: 485] [UniProtKB: O75762] | ||||||||
ChEMBL | Agonist activity at human TRPA1 channel expressed in CHO cells assessed as increase in intracellular calcium levels | F | 5.52 | pEC50 | 3000 | nM | EC50 | J Med Chem (2010) 53: 5085-5107 [PMID:20356305] |
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]