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SMILES: COc1ccc(cc1)-c1cc(-c2ccsc2)c(=O)n(C)c1-c1ccncc1

InChI Key: InChIKey=COKSTUDOWROCJE-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50112219   

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/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50112219 (3-(4-Methoxy-phenyl)-1-methyl-5-thiophen-3-yl-1H-[...) Show SMILES COc1ccc(cc1)-c1cc(-c2ccsc2)c(=O)n(C)c1-c1ccncc1 Show InChI InChI=1S/C22H18N2O2S/c1-24-21(16-7-10-23-11-8-16)19(15-3-5-18(26-2)6-4-15)13-20(22(24)25)17-9-12-27-14-17/h3-14H,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	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 Binding affinity by displacement of [3H]-Ro-15-1788 from recombinant human gamma-aminobutyric-acid A receptor alpha3,beta3,gamma2 stably expressed in...				J Med Chem 45: 1887-900 (2002) BindingDB Entry DOI: 10.7270/Q2KP81HZ
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50112219 (3-(4-Methoxy-phenyl)-1-methyl-5-thiophen-3-yl-1H-[...) Show SMILES COc1ccc(cc1)-c1cc(-c2ccsc2)c(=O)n(C)c1-c1ccncc1 Show InChI InChI=1S/C22H18N2O2S/c1-24-21(16-7-10-23-11-8-16)19(15-3-5-18(26-2)6-4-15)13-20(22(24)25)17-9-12-27-14-17/h3-14H,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	39	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 Inhibition of [3H]-Ro-15-1788 binding to human GABA A receptor (alpha1-beta3-gamma2) stably expressed in L(tk-) cells.				J Med Chem 45: 1887-900 (2002) BindingDB Entry DOI: 10.7270/Q2KP81HZ
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50112219 (3-(4-Methoxy-phenyl)-1-methyl-5-thiophen-3-yl-1H-[...) Show SMILES COc1ccc(cc1)-c1cc(-c2ccsc2)c(=O)n(C)c1-c1ccncc1 Show InChI InChI=1S/C22H18N2O2S/c1-24-21(16-7-10-23-11-8-16)19(15-3-5-18(26-2)6-4-15)13-20(22(24)25)17-9-12-27-14-17/h3-14H,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	51	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 Displacement of [3H]-Ro-15-1788 from human Gamma-aminobutyric-acid A receptor alpha2-beta3-gamma2 stably expressed in L(tk-) cells				J Med Chem 45: 1887-900 (2002) BindingDB Entry DOI: 10.7270/Q2KP81HZ
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50112219 (3-(4-Methoxy-phenyl)-1-methyl-5-thiophen-3-yl-1H-[...) Show SMILES COc1ccc(cc1)-c1cc(-c2ccsc2)c(=O)n(C)c1-c1ccncc1 Show InChI InChI=1S/C22H18N2O2S/c1-24-21(16-7-10-23-11-8-16)19(15-3-5-18(26-2)6-4-15)13-20(22(24)25)17-9-12-27-14-17/h3-14H,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	450	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 Inhibition of [3H]-Ro-15-1788 binding to human GABA A receptor (alpha5-beta3-gamma2) stably expressed in L(tk-) cells.				J Med Chem 45: 1887-900 (2002) BindingDB Entry DOI: 10.7270/Q2KP81HZ
					More data for this Ligand-Target Pair