BDBM50418459 CHEMBL1783259
SMILES: COc1ccc(OC)c(c1)-c1cccc2c(N)c(nnc12)C(=O)NC(C)C
InChI Key: InChIKey=YTPPBAYYHIGVLQ-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50418459 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)) | BDBM50418459
(CHEMBL1783259)Show SMILES COc1ccc(OC)c(c1)-c1cccc2c(N)c(nnc12)C(=O)NC(C)C Show InChI InChI=1S/C20H22N4O3/c1-11(2)22-20(25)19-17(21)14-7-5-6-13(18(14)23-24-19)15-10-12(26-3)8-9-16(15)27-4/h5-11H,1-4H3,(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
| 56 | 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)) | BDBM50418459
(CHEMBL1783259)Show SMILES COc1ccc(OC)c(c1)-c1cccc2c(N)c(nnc12)C(=O)NC(C)C Show InChI InChI=1S/C20H22N4O3/c1-11(2)22-20(25)19-17(21)14-7-5-6-13(18(14)23-24-19)15-10-12(26-3)8-9-16(15)27-4/h5-11H,1-4H3,(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
| 56.2 | 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 | |
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