BDBM85042 CHEMBL44613::PW-007A

SMILES: COc1ccc2ncc3c([nH]n(-c4ccccc4)c3=O)c2c1

InChI Key: InChIKey=VYLRWCGZMBVWLO-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 85042   

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-3/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM85042 (CHEMBL44613 | PW-007A) Show SMILES COc1ccc2ncc3c([nH]n(-c4ccccc4)c3=O)c2c1 Show InChI InChI=1S/C17H13N3O2/c1-22-12-7-8-15-13(9-12)16-14(10-18-15)17(21)20(19-16)11-5-3-2-4-6-11/h2-10,19H,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Milwaukee Curated by ChEMBL					Assay Description Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-3-beta-3-gamma-2				J Med Chem 43: 71-95 (2000) BindingDB Entry DOI: 10.7270/Q2W37X0J
					More data for this Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM85042 (CHEMBL44613 | PW-007A) Show SMILES COc1ccc2ncc3c([nH]n(-c4ccccc4)c3=O)c2c1 Show InChI InChI=1S/C17H13N3O2/c1-22-12-7-8-15-13(9-12)16-14(10-18-15)17(21)20(19-16)11-5-3-2-4-6-11/h2-10,19H,1H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Milwaukee Curated by ChEMBL					Assay Description Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2				J Med Chem 43: 71-95 (2000) BindingDB Entry DOI: 10.7270/Q2W37X0J
					More data for this Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM85042 (CHEMBL44613 | PW-007A) Show SMILES COc1ccc2ncc3c([nH]n(-c4ccccc4)c3=O)c2c1 Show InChI InChI=1S/C17H13N3O2/c1-22-12-7-8-15-13(9-12)16-14(10-18-15)17(21)20(19-16)11-5-3-2-4-6-11/h2-10,19H,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Milwaukee Curated by ChEMBL					Assay Description Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-1-beta-3-gamma-2				J Med Chem 43: 71-95 (2000) BindingDB Entry DOI: 10.7270/Q2W37X0J
					More data for this Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM85042 (CHEMBL44613 | PW-007A) Show SMILES COc1ccc2ncc3c([nH]n(-c4ccccc4)c3=O)c2c1 Show InChI InChI=1S/C17H13N3O2/c1-22-12-7-8-15-13(9-12)16-14(10-18-15)17(21)20(19-16)11-5-3-2-4-6-11/h2-10,19H,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Milwaukee Curated by ChEMBL					Assay Description Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-5-beta-3-gamma-2				J Med Chem 43: 71-95 (2000) BindingDB Entry DOI: 10.7270/Q2W37X0J
					More data for this Ligand-Target Pair
GABA receptor alpha-6/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM85042 (CHEMBL44613 | PW-007A) Show SMILES COc1ccc2ncc3c([nH]n(-c4ccccc4)c3=O)c2c1 Show InChI InChI=1S/C17H13N3O2/c1-22-12-7-8-15-13(9-12)16-14(10-18-15)17(21)20(19-16)11-5-3-2-4-6-11/h2-10,19H,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Milwaukee Curated by ChEMBL					Assay Description Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-6-beta-3-gamma-2				J Med Chem 43: 71-95 (2000) BindingDB Entry DOI: 10.7270/Q2W37X0J
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4 (Rattus norvegicus (Rat))	BDBM85042 (CHEMBL44613 | PW-007A) Show SMILES COc1ccc2ncc3c([nH]n(-c4ccccc4)c3=O)c2c1 Show InChI InChI=1S/C17H13N3O2/c1-22-12-7-8-15-13(9-12)16-14(10-18-15)17(21)20(19-16)11-5-3-2-4-6-11/h2-10,19H,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	22.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes, Digestive, and Kidney Diseases Curated by PDSP Ki Database									Neuropharmacology 35: 1307-14 (1996) Article DOI: 10.1016/s0028-3908(96)00054-8 BindingDB Entry DOI: 10.7270/Q28S4NF7
					More data for this Ligand-Target Pair
GABA A receptor alpha-6/beta-2/gamma-2 (RAT)	BDBM85042 (CHEMBL44613 | PW-007A) Show SMILES COc1ccc2ncc3c([nH]n(-c4ccccc4)c3=O)c2c1 Show InChI InChI=1S/C17H13N3O2/c1-22-12-7-8-15-13(9-12)16-14(10-18-15)17(21)20(19-16)11-5-3-2-4-6-11/h2-10,19H,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	74.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes, Digestive, and Kidney Diseases Curated by PDSP Ki Database									Neuropharmacology 35: 1307-14 (1996) Article DOI: 10.1016/s0028-3908(96)00054-8 BindingDB Entry DOI: 10.7270/Q28S4NF7
					More data for this Ligand-Target Pair