BDBM50418476 CHEMBL1783275

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

InChI Key: InChIKey=MVMSIAOIXGSGIK-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50418476   

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
GABA receptor alpha-2/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50418476 (CHEMBL1783275) Show SMILES COc1ccc(OC)c(c1)-c1c(F)ccc2c(N)c(nnc12)C(=O)NC(C)C |(22.83,-34.64,;22.82,-33.1,;21.49,-32.33,;20.15,-33.11,;18.82,-32.33,;18.82,-30.79,;17.49,-30.02,;16.15,-30.78,;20.16,-30.04,;21.49,-30.79,;20.16,-28.5,;18.83,-27.72,;17.49,-28.49,;18.83,-26.18,;20.16,-25.41,;21.49,-26.17,;22.83,-25.39,;22.82,-23.85,;24.18,-26.16,;24.18,-27.72,;22.84,-28.5,;21.5,-27.73,;25.52,-25.38,;25.51,-23.84,;26.85,-26.15,;28.18,-25.37,;29.52,-26.14,;28.18,-23.83,)| Show InChI InChI=1S/C20H21FN4O3/c1-10(2)23-20(26)19-17(22)12-6-7-14(21)16(18(12)24-25-19)13-9-11(27-3)5-8-15(13)28-4/h5-10H,1-4H3,(H2,22,24)(H,23,26)	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