darigabat [Ligand Id: 9798] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL3647536 (Cvl-865, CVL-865, Darigabat, Pf-06372865, PF-06372865) |
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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]-flumazenil from human GABAA alpha1beta3gamma2 expressed in HEK293 cell membranes measured after 2 hrs by liquid scintillation counting method | B | 9.74 | pKi | 0.18 | nM | Ki | J Med Chem (2020) 63: 3425-3446 [PMID:31738537] |
| 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]-flumazenil from human GABAA alpha3beta3gamma2 receptor expressed in HEK293 cell membranes measured after 2 hrs by liquid scintillation counting method | B | 8.96 | pKi | 1.1 | nM | Ki | J Med Chem (2019) 62: 5773-5796 [PMID:30964988] |
| ChEMBL | Displacement of [3H]-flumazenil from human GABAA alpha3beta3gamma2 expressed in HEK293 cell membranes measured after 2 hrs by liquid scintillation counting method | B | 8.97 | pKi | 1.06 | nM | Ki | J Med Chem (2020) 63: 3425-3446 [PMID:31738537] |
| 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 | Displacement of [3H]-flumazenil from human GABAA alpha5beta3gamma2 expressed in HEK293 cell membranes measured after 2 hrs by liquid scintillation counting method | B | 7.74 | pKi | 18 | nM | Ki | J Med Chem (2020) 63: 3425-3446 [PMID:31738537] |
| GABAA receptor α2 subunit/GABA receptor alpha-2 subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4956] [GtoPdb: 405] [UniProtKB: P47869] | ||||||||
| ChEMBL | Radioligand Competition Binding Assay: The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Perkin Elmer, 85.4 Ci/mmol) and the human recombinant GABA A receptor containing the alpha2, beta2, and gamma3 subunits.Membranes were prepared from HEK cells expressing hGABA A alpha2beta2- gamma3 receptor, and validated to ascertain protein concentration, receptor expression and to determine the Kd of the flumazenil as well as the Ki of a standard set of compounds before being used to test new compounds.The assay was carried out in 96 well plates; testing compounds using a 10 point semi-log dilution range from 19 uM top concentration. 100 ul of radioligand and 100 ul of membrane in 50 mM Tris-HCI and 0.05% F127 with 1 ul of test compound was incubated for 2 hours to allow the reaction to achieve equilibrium, and then harvested onto filter plates, dried and counted on a TopCount NXT. The data was analysed, and the Ki values were presented. | B | 8.61 | pKi | <2.47 | nM | Ki | US-8952008-B2. Chemical compounds (2015) |
| GtoPdb | Determined in a radioligand competition binding assay using [3H]flumazenil and recombinant human GABAA receptor with the α2/β2/γ3 configuration. | - | 8.61 | pKi | <2.47 | nM | Ki | WO2014091368. Imidazopyridazine derivatives as GABAA receptor modulators. (2014) |
| GABAA receptor γ2 subunit/GABAA receptor α5 subunit/GABAA receptor β2 subunit/Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL4523641] [GtoPdb: 414, 408, 411] [UniProtKB: P18507, P31644, P47870] | ||||||||
| ChEMBL | Displacement of [3H]-flumazenil from human GABAA alpha5beta2gamma2 receptor expressed in HEK293 cell membranes measured after 2 hrs by liquid scintillation counting method | B | 7.74 | pKi | 18 | nM | Ki | J Med Chem (2019) 62: 5773-5796 [PMID:30964988] |
| Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809] | ||||||||
| ChEMBL | Inhibition of human ERG by electrophysiology method | B | 4.57 | pIC50 | 26800 | nM | IC50 | J Med Chem (2019) 62: 5773-5796 [PMID:30964988] |
| NK2 receptor/Neurokinin 2 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2327] [GtoPdb: 361] [UniProtKB: P21452] | ||||||||
| ChEMBL | Displacement of [125I]NKA from recombinant human NK2 measured after 60 mins by scintillation counting method | B | 4.68 | pIC50 | 21000 | nM | IC50 | J Med Chem (2019) 62: 5773-5796 [PMID:30964988] |
| Nav1.5/Sodium channel protein type V alpha subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1980] [GtoPdb: 582] [UniProtKB: Q14524] | ||||||||
| ChEMBL | Inhibition of Nav1.5 (unknown origin) | B | 4 | pIC50 | >100000 | nM | IC50 | J Med Chem (2019) 62: 5773-5796 [PMID:30964988] |
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]
