MRK016 [Ligand Id: 4257] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL363211 |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| GABAA receptor α1 subunit/GABAA receptor γ2 subunit/GABAA receptor β3 subunit/GABA-A receptor; alpha-1/beta-3/gamma-2 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2094121] [GtoPdb: 404, 414, 412] [UniProtKB: P14867, P18507, P28472] | ||||||||
| ChEMBL | Displacement of [3H]-Ro- 15-1788 from human gamma-aminobutyric-acid GABA-A receptor alpha-1-beta-3-gamma-2 expressed in L(tk-) cells | B | 9.08 | pKi | 0.83 | nM | Ki | J Med Chem (2004) 47: 5829-5832 [PMID:15537339] |
| GABAA receptor γ2 subunit/GABAA receptor β3 subunit/GABAA receptor α2 subunit/GABA-A receptor; alpha-2/beta-3/gamma-2 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2094130] [GtoPdb: 414, 412, 405] [UniProtKB: P18507, P28472, P47869] | ||||||||
| ChEMBL | Displacement of [3H]-Ro- 15-1788 from human gamma-aminobutyric-acid GABA-A receptor alpha-2-beta-3-gamma-2 expressed in L(tk-) cells | B | 9.07 | pKi | 0.85 | nM | Ki | J Med Chem (2004) 47: 5829-5832 [PMID:15537339] |
| GABAA receptor γ2 subunit/GABAA receptor β3 subunit/GABAA receptor α3 subunit/GABA-A receptor; alpha-3/beta-3/gamma-2 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2094120] [GtoPdb: 414, 412, 406] [UniProtKB: P18507, P28472, P34903] | ||||||||
| ChEMBL | Displacement of [3H]-Ro- 15-1788 from human gamma-aminobutyric-acid GABA-A receptor alpha-3-beta-3-gamma-2 expressed in L(tk-) cells | B | 9.11 | pKi | 0.77 | nM | Ki | J Med Chem (2004) 47: 5829-5832 [PMID:15537339] |
| GABAA receptor γ2 subunit/GABAA receptor β3 subunit/GABAA receptor α4 subunit/GABA A receptor alpha-4/beta-3/gamma-2 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2111366] [GtoPdb: 414, 412, 407] [UniProtKB: P18507, P28472, P48169] | ||||||||
| ChEMBL | Binding affinity towards gamma-aminobutyric-acid GABA-A receptor alpha-4-beta-3-gamma-2 | B | 6.4 | pKi | 395 | nM | Ki | J Med Chem (2004) 47: 5829-5832 [PMID:15537339] |
| GABAA receptor γ2 subunit/GABAA receptor β3 subunit/GABAA receptor α5 subunit/GABA-A receptor; alpha-5/beta-3/gamma-2 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2094122] [GtoPdb: 414, 412, 408] [UniProtKB: P18507, P28472, P31644] | ||||||||
| ChEMBL | Inverse agonist activity at recombinant human GABA-A alpha5beta3gamma2 receptor expressed in mouse L(tk-) cells by radioligand binding assay | B | 8.52 | pKi | 3 | nM | Ki | Eur J Med Chem (2019) 171: 434-461 [PMID:30928713] |
| ChEMBL | Displacement of [3H]-Ro- 15-1788 from human gamma-aminobutyric-acid GABA-A receptor alpha-5-beta-3-gamma-2 expressed in L(tk-) cells | B | 8.85 | pKi | 1.4 | nM | Ki | J Med Chem (2004) 47: 5829-5832 [PMID:15537339] |
| ChEMBL | Displacement of [3H]Ro15-1788 from recombinant human GABA-A alpha5beta3gamma2 receptor expressed in mouse L(tk-) cells by radioligand binding assay | B | 8.85 | pKi | 1.4 | nM | Ki | Eur J Med Chem (2019) 171: 434-461 [PMID:30928713] |
| GABAA receptor γ2 subunit/GABAA receptor β3 subunit/GABAA receptor α6 subunit/GABA-A receptor; alpha-6/beta-3/gamma-2 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2095190] [GtoPdb: 414, 412, 409] [UniProtKB: P18507, P28472, Q16445] | ||||||||
| ChEMBL | Binding affinity towards gamma-aminobutyric-acid GABA-A receptor alpha-6-beta-3-gamma-2 | B | 5.4 | pKi | >4000 | nM | Ki | J Med Chem (2004) 47: 5829-5832 [PMID:15537339] |
| GABAA receptor α1 subunit/GABA receptor alpha-1 subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1962] [GtoPdb: 404] [UniProtKB: P14867] | ||||||||
| ChEMBL | Binding affinity to GABA-A alpha1 (unknown origin) | B | 9.08 | pKi | 0.83 | nM | Ki | J Med Chem (2020) 63: 3425-3446 [PMID:31738537] |
| ChEMBL | Positive allosteric modulation of GABAA alpha1 (unknown origin) | B | 9.1 | pKi | 0.8 | nM | Ki | J Med Chem (2013) 56: 593-624 [PMID:23121096] |
| GABAA receptor α2 subunit/GABA receptor alpha-2 subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4956] [GtoPdb: 405] [UniProtKB: P47869] | ||||||||
| ChEMBL | Binding affinity to GABA-A alpha2 (unknown origin) | B | 9.07 | pKi | 0.85 | nM | Ki | J Med Chem (2020) 63: 3425-3446 [PMID:31738537] |
| ChEMBL | Positive allosteric modulation of GABAA alpha2 (unknown origin) | B | 9.1 | pKi | 0.8 | nM | Ki | J Med Chem (2013) 56: 593-624 [PMID:23121096] |
| GABAA receptor α3 subunit/GABA receptor alpha-3 subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3026] [GtoPdb: 406] [UniProtKB: P34903] | ||||||||
| ChEMBL | Positive allosteric modulation of GABAA alpha3 (unknown origin) | B | 9.1 | pKi | 0.8 | nM | Ki | J Med Chem (2013) 56: 593-624 [PMID:23121096] |
| ChEMBL | Binding affinity to GABA-A alpha3 (unknown origin) | B | 9.11 | pKi | 0.77 | nM | Ki | J Med Chem (2020) 63: 3425-3446 [PMID:31738537] |
| GABAA receptor α5 subunit/GABA receptor alpha-5 subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5112] [GtoPdb: 408] [UniProtKB: P31644] | ||||||||
| ChEMBL | Positive allosteric modulation of GABAA alpha5 (unknown origin) | B | 8.85 | pKi | 1.4 | nM | Ki | J Med Chem (2013) 56: 593-624 [PMID:23121096] |
| ChEMBL | Binding affinity to GABA-A alpha5 (unknown origin) | B | 8.85 | pKi | 1.4 | nM | Ki | J Med Chem (2020) 63: 3425-3446 [PMID:31738537] |
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]
