BDBM50120799 8-(3,4-Difluoro-benzoyl)-2-(2-fluoro-phenyl)-6,7,8,9-tetrahydro-5H-1,3a,5,8-tetraaza-cyclopenta[a]naphthalen-4-one::CHEMBL147590

SMILES: Fc1ccc(cc1F)C(=O)N1CCc2[nH]c(=O)n3cc(nc3c2C1)-c1ccccc1F

InChI Key: InChIKey=UPWDXNIJQRMIJY-UHFFFAOYSA-N

Data: 4 EC50

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 4 hits for monomerid = 50120799   

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-3 (Homo sapiens (Human))	BDBM50120799 (8-(3,4-Difluoro-benzoyl)-2-(2-fluoro-phenyl)-6,7,8...) Show SMILES Fc1ccc(cc1F)C(=O)N1CCc2[nH]c(=O)n3cc(nc3c2C1)-c1ccccc1F Show InChI InChI=1S/C22H15F3N4O2/c23-15-4-2-1-3-13(15)19-11-29-20(26-19)14-10-28(8-7-18(14)27-22(29)31)21(30)12-5-6-16(24)17(25)9-12/h1-6,9,11H,7-8,10H2,(H,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	148	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 3				J Med Chem 45: 5043-51 (2002) BindingDB Entry DOI: 10.7270/Q2DR2TTC
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50120799 (8-(3,4-Difluoro-benzoyl)-2-(2-fluoro-phenyl)-6,7,8...) Show SMILES Fc1ccc(cc1F)C(=O)N1CCc2[nH]c(=O)n3cc(nc3c2C1)-c1ccccc1F Show InChI InChI=1S/C22H15F3N4O2/c23-15-4-2-1-3-13(15)19-11-29-20(26-19)14-10-28(8-7-18(14)27-22(29)31)21(30)12-5-6-16(24)17(25)9-12/h1-6,9,11H,7-8,10H2,(H,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	133	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1				J Med Chem 45: 5043-51 (2002) BindingDB Entry DOI: 10.7270/Q2DR2TTC
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2 (Homo sapiens (Human))	BDBM50120799 (8-(3,4-Difluoro-benzoyl)-2-(2-fluoro-phenyl)-6,7,8...) Show SMILES Fc1ccc(cc1F)C(=O)N1CCc2[nH]c(=O)n3cc(nc3c2C1)-c1ccccc1F Show InChI InChI=1S/C22H15F3N4O2/c23-15-4-2-1-3-13(15)19-11-29-20(26-19)14-10-28(8-7-18(14)27-22(29)31)21(30)12-5-6-16(24)17(25)9-12/h1-6,9,11H,7-8,10H2,(H,27,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	238	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 2				J Med Chem 45: 5043-51 (2002) BindingDB Entry DOI: 10.7270/Q2DR2TTC
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM50120799 (8-(3,4-Difluoro-benzoyl)-2-(2-fluoro-phenyl)-6,7,8...) Show SMILES Fc1ccc(cc1F)C(=O)N1CCc2[nH]c(=O)n3cc(nc3c2C1)-c1ccccc1F Show InChI InChI=1S/C22H15F3N4O2/c23-15-4-2-1-3-13(15)19-11-29-20(26-19)14-10-28(8-7-18(14)27-22(29)31)21(30)12-5-6-16(24)17(25)9-12/h1-6,9,11H,7-8,10H2,(H,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	491	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Effective concentration against Gamma-aminobutyric acid A receptor, alpha 5				J Med Chem 45: 5043-51 (2002) BindingDB Entry DOI: 10.7270/Q2DR2TTC
					More data for this Ligand-Target Pair