BDBM50418453 CHEMBL1783253
SMILES: COc1ccc(OC)c(c1)-c1cccc2c(N)c(nnc12)C(=O)NC1CC1
InChI Key: InChIKey=YVAHCWLEKOONFT-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50418453 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Gamma-aminobutyric acid receptor subunit alpha-2
(Homo sapiens (Human)) | BDBM50418453
(CHEMBL1783253)Show SMILES COc1ccc(OC)c(c1)-c1cccc2c(N)c(nnc12)C(=O)NC1CC1 Show InChI InChI=1S/C20H20N4O3/c1-26-12-8-9-16(27-2)15(10-12)13-4-3-5-14-17(21)19(24-23-18(13)14)20(25)22-11-6-7-11/h3-5,8-11H,6-7H2,1-2H3,(H2,21,23)(H,22,25) | PDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description Binding affinity to GABA-A alpha2 (unknown origin) |
J Med Chem 63: 3425-3446 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01312 |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-2/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50418453
(CHEMBL1783253)Show SMILES COc1ccc(OC)c(c1)-c1cccc2c(N)c(nnc12)C(=O)NC1CC1 Show InChI InChI=1S/C20H20N4O3/c1-26-12-8-9-16(27-2)15(10-12)13-4-3-5-14-17(21)19(24-23-18(13)14)20(25)22-11-6-7-11/h3-5,8-11H,6-7H2,1-2H3,(H2,21,23)(H,22,25) | PDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr |
Bioorg Med Chem 19: 2927-38 (2011)
Article DOI: 10.1016/j.bmc.2011.03.035 BindingDB Entry DOI: 10.7270/Q29S1S98 |
More data for this Ligand-Target Pair | |