BDBM50148318 2-(4-Difluoromethoxy-phenyl)-5,5a,6,7,9,9a-hexahydro-2H-8-oxa-1,2,5-triaza-cyclopenta[a]naphthalen-3-one::CHEMBL114463

SMILES: FC(F)Oc1ccc(cc1)-n1[nH]c2C3COCCC3N=Cc2c1=O

InChI Key: InChIKey=PHYVZWNIDCNYML-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50148318   

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-1/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50148318 (2-(4-Difluoromethoxy-phenyl)-5,5a,6,7,9,9a-hexahyd...) Show SMILES FC(F)Oc1ccc(cc1)-n1[nH]c2C3COCCC3N=Cc2c1=O |c:21| Show InChI InChI=1S/C16H15F2N3O3/c17-16(18)24-10-3-1-9(2-4-10)21-15(22)11-7-19-13-5-6-23-8-12(13)14(11)20-21/h1-4,7,12-13,16,20H,5-6,8H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity against Gamma-aminobutyric acid A receptor, alpha 3 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788				Bioorg Med Chem Lett 14: 3441-4 (2004) Article DOI: 10.1016/j.bmcl.2004.04.085 BindingDB Entry DOI: 10.7270/Q2NP23VM
					More data for this Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50148318 (2-(4-Difluoromethoxy-phenyl)-5,5a,6,7,9,9a-hexahyd...) Show SMILES FC(F)Oc1ccc(cc1)-n1[nH]c2C3COCCC3N=Cc2c1=O |c:21| Show InChI InChI=1S/C16H15F2N3O3/c17-16(18)24-10-3-1-9(2-4-10)21-15(22)11-7-19-13-5-6-23-8-12(13)14(11)20-21/h1-4,7,12-13,16,20H,5-6,8H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity against gamma-aminobutyric acid A receptor, alpha 1 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788				Bioorg Med Chem Lett 14: 3441-4 (2004) Article DOI: 10.1016/j.bmcl.2004.04.085 BindingDB Entry DOI: 10.7270/Q2NP23VM
					More data for this Ligand-Target Pair