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BDBM50418472 CHEMBL1783271

SMILES: COc1ccc(OC)c(c1)-c1c(F)ccc2c(N)c(nnc12)C(=O)NC1CC1

InChI Key: InChIKey=WEFRNUXPTYTOEU-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50418472   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))		BDBM50418472
PNG
(CHEMBL1783271)
Show SMILES COc1ccc(OC)c(c1)-c1c(F)ccc2c(N)c(nnc12)C(=O)NC1CC1 |(23.64,-5.48,;23.63,-3.94,;22.3,-3.17,;20.96,-3.95,;19.63,-3.17,;19.63,-1.63,;18.3,-.86,;16.96,-1.62,;20.97,-.88,;22.29,-1.63,;20.97,.66,;19.63,1.43,;18.3,.67,;19.64,2.98,;20.97,3.75,;22.3,2.99,;23.64,3.77,;23.63,5.31,;24.99,3,;24.99,1.44,;23.65,.66,;22.31,1.43,;26.33,3.78,;26.32,5.32,;27.66,3.01,;28.99,3.78,;30.53,3.78,;29.75,5.12,)|
Show InChI InChI=1S/C20H19FN4O3/c1-27-11-5-8-15(28-2)13(9-11)16-14(21)7-6-12-17(22)19(25-24-18(12)16)20(26)23-10-3-4-10/h5-10H,3-4H2,1-2H3,(H2,22,24)(H,23,26)
PDB

KEGG

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UniProtKB/TrEMBL

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PC sid
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Similars
Article
PubMed
 1.15n/an/an/an/an/an/an/an/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