β-phenylethylamine [Ligand Id: 2144] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL610 (Phenethylamine, Phenylethylamine) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| lysyl oxidase like 2/Lysyl oxidase homolog 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3714029] [GtoPdb: 2853] [UniProtKB: Q9Y4K0] | ||||||||
| ChEMBL | Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated for 2 hrs followed by substrate addition measured every 2 minutes for 50 minutes by Amplex red dye based fluorescence assay | B | 4.22 | pIC50 | 60100 | nM | IC50 | ACS Med Chem Lett (2017) 8: 423-427 [PMID:28435530] |
| 5-HT2A receptor/Serotonin 2a (5-HT2a) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL224] [GtoPdb: 6] [UniProtKB: P28223] | ||||||||
| ChEMBL | Binding affinity was performed using [3H]ketanserin as the radioligand and stably transfected NIH3T3 cells expressing the 5-hydroxytryptamine 2A receptor (GF-62 cells). | B | 4.77 | pKi | 16800 | nM | Ki | J Med Chem (2002) 45: 1656-1664 [PMID:11931619] |
| ChEMBL | Displacement of [3H]ketanserin from 5HT2A receptor expressed in NIH3T3 cells | B | 4.77 | pKi | 16800 | nM | Ki | J Med Chem (2008) 51: 6808-6828 [PMID:18847250] |
| 5-HT2A receptor/Serotonin 2a (5-HT2a) receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL322] [GtoPdb: 6] [UniProtKB: P14842] | ||||||||
| ChEMBL | Binding affinity against 5-hydroxytryptamine 2A receptor expressed NIH3T3 cells using [3H]ketanserin | B | 4.77 | pKi | 16820 | nM | Ki | Bioorg Med Chem Lett (2001) 11: 563-566 [PMID:11229772] |
| ChEMBL | Displacement of [3H]ketanserin from rat 5HT2A expressed in mouse NIH/3T3 cell membranes after 30 mins by scintillation counting method | B | 5 | pKi | >10000 | nM | Ki | J Med Chem (2017) 60: 2605-2628 [PMID:28244748] |
| TA1 receptor/Trace amine-associated receptor 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5857] [GtoPdb: 364] [UniProtKB: Q96RJ0] | ||||||||
| ChEMBL | Agonist activity at human TAAR1 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay | F | 6.89 | pEC50 | 130 | nM | EC50 | Eur J Med Chem (2018) 146: 171-184 [PMID:29407948] |
| ChEMBL | Agonist activity at human trace amine associated receptor 1 expressed in RD-HGA16 CHO-K1 cells coexpressed with Galpha16 protein assessed as internal calcium mobilization by calcium 3 assay | F | 6.89 | pEC50 | 129 | nM | EC50 | Bioorg Med Chem (2008) 16: 7415-7423 [PMID:18602830] |
| ChEMBL | Agonist activity at human TAAR1 receptor expressed in HEK293T cells cotransfected with beta-2 receptor assessed as cAMP production by BRET assay | F | 6.96 | pEC50 | 110 | nM | EC50 | Medchemcomm (2015) 6: 2216-2223 |
| ChEMBL | Activation of human TAAR1 expressed in Syrian hamster AV12-664 cells co-expressing GalphaS protein assessed as accumulation of cAMP after 30 mins using cAMP XS EA/CL as substrate by luminescence method in presence of RX821002 and alprenolol | F | 6.97 | pEC50 | 106 | nM | EC50 | Bioorg Med Chem (2011) 19: 7044-7048 [PMID:22037049] |
| GtoPdb | - | - | 7 | pEC50 | - | - | - |
Proc Natl Acad Sci USA (2001) 98: 8966-71 [PMID:11459929]; Mol Pharmacol (2008) 74: 585-594 [PMID:18524885]; J Pharmacol Exp Ther (2007) 320: 475-85 [PMID:17038507]; Bioorg Med Chem (2008) 16: 7415-23 [PMID:18602830]; Biochem J (2009) 424: 39-45 [PMID:19725810]; PLoS ONE (2011) 6: e27073 [PMID:22073124] |
| ChEMBL | Agonist activity at recombinant human TAAR1 expressed in CHO-K1 cells assessed as increase in intracellular cAMP incubated for 30 mins by HTRF analysis | F | 7.82 | pEC50 | 15 | nM | EC50 | ACS Med Chem Lett (2022) 13: 92-98 [PMID:35047111] |
| TA1 receptor/Trace amine-associated receptor 1 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4908] [GtoPdb: 364] [UniProtKB: Q923Y8] | ||||||||
| ChEMBL | Activation of mouse wild type TAAR1 expressed in HEK293 cells assessed as stimulation of cAMP production after 1 hr by chemiluminescent assay | F | 6.72 | pEC50 | 189 | nM | EC50 | J Med Chem (2014) 57: 378-390 [PMID:24354319] |
| ChEMBL | Agonist activity at mouse TAAR1 expressed in HEK293 cells coexpressing cAMP BRET biosensor assessed as induction of CAMP production after 20 mins by bioluminescence resonance energy transfer assay | F | 6.86 | pEC50 | 138 | nM | EC50 | J Med Chem (2015) 58: 5096-5107 [PMID:26010728] |
| ChEMBL | Agonist activity at mouse TAAR1 expressed in HEK293T cells assessed as induction of cAMP production by BRET assay | F | 6.86 | pEC50 | 138 | nM | EC50 | J Med Chem (2016) 59: 9825-9836 [PMID:27731647] |
| ChEMBL | Agonist activity at mouse TAAR1 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay | F | 6.92 | pEC50 | 120 | nM | EC50 | Eur J Med Chem (2018) 146: 171-184 [PMID:29407948] |
| ChEMBL | Activation of mouse TAAR1 transmembrane domain 7 Tyr287(7.39)Asn mutant expressed in HEK293 cells assessed as stimulation of cAMP production after 1 hr by chemiluminescent assay | F | 7.23 | pEC50 | 58.6 | nM | EC50 | J Med Chem (2014) 57: 378-390 [PMID:24354319] |
| ChEMBL | Activation of mouse TAAR1 transmembrane domain 6 Thr268(6.55)Met mutant expressed in HEK293 cells assessed as stimulation of cAMP production after 1 hr by chemiluminescent assay | F | 7.33 | pEC50 | 47.3 | nM | EC50 | J Med Chem (2014) 57: 378-390 [PMID:24354319] |
| GtoPdb | - | - | 7.4 | pEC50 | - | - | - |
J Pharmacol Exp Ther (2007) 321: 178-86 [PMID:17218486]; Genes Brain Behav (2007) 6: 628-39 [PMID:17212650]; Biochem J (2009) 424: 39-45 [PMID:19725810] |
| TA1 receptor/Trace amine-associated receptor 1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3833] [GtoPdb: 364] [UniProtKB: Q923Y9] | ||||||||
| ChEMBL | Activation of rat TAAR1 transmembrane domain 6 Met268(6.55)Thr mutant expressed in HEK293 cells assessed as stimulation of cAMP production after 1 hr by chemiluminescent assay | F | 6.58 | pEC50 | 261.2 | nM | EC50 | J Med Chem (2014) 57: 378-390 [PMID:24354319] |
| GtoPdb | - | - | 6.6 | pEC50 | - | - | - |
J Pharmacol Exp Ther (2007) 321: 178-86 [PMID:17218486]; Mol Pharmacol (2001) 60: 1181-8 [PMID:11723224] |
| ChEMBL | Agonist activity at rat N-terminal FLAG-tagged TAAR1 expressed in HEK293 cells assessed as [3H]cAMP accumulation measured after 1 hr | F | 6.62 | pEC50 | 240 | nM | EC50 | J Med Chem (2017) 60: 2605-2628 [PMID:28244748] |
| ChEMBL | Activation of rat TAAR1 expressed in Syrian hamster AV12-664 cells assessed as accumulation of cAMP after 30 mins using cAMP XS EA/CL as substrate by luminescence method | F | 6.68 | pEC50 | 209 | nM | EC50 | Bioorg Med Chem (2011) 19: 7044-7048 [PMID:22037049] |
| ChEMBL | Activation of rat TAAR1 transmembrane domain 7 Asn287(7.39)Tyr mutant expressed in HEK293 cells assessed as stimulation of cAMP production after 1 hr by chemiluminescent assay | F | 6.77 | pEC50 | 170.6 | nM | EC50 | J Med Chem (2014) 57: 378-390 [PMID:24354319] |
| ChEMBL | Activation of rat wild type TAAR1 expressed in HEK293 cells assessed as stimulation of cAMP production after 1 hr by chemiluminescent assay | F | 7.39 | pEC50 | 40.33 | nM | EC50 | J Med Chem (2014) 57: 378-390 [PMID:24354319] |
| serine protease 1/Trypsin I in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL209] [GtoPdb: 2397] [UniProtKB: P07477] | ||||||||
| ChEMBL | Binding affinity against trypsin | B | 1.96 | pKd | -1.96 | - | Log Kd | J Med Chem (2002) 45: 2770-2780 [PMID:12061879] |
| Trypsin I in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3769] [UniProtKB: P00760] | ||||||||
| ChEMBL | Binding affinity against bovine trypsin | B | 4.96 | pKi | 11000 | nM | Ki | J Med Chem (2002) 45: 2469-2483 [PMID:12036355] |
| TAAR4P in Mouse [GtoPdb: 169] [UniProtKB: Q5QD15] | ||||||||
| GtoPdb | - | - | 6 | pEC50 | 1000 | nM | EC50 | Nature (2006) 442: 645-650 [PMID:16878137] |
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]
