Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Gamma-aminobutyric acid receptor subunit alpha-1 [F99C]'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Gamma-aminobutyric acid receptor subunit alpha-1 [F99C]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	15	-44.2	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [F99C]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26266 (Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...) Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1 Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	180	-38.1	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [F99C]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26265 ((5S)-6-(5-chloropyridin-2-yl)-7-oxo-5H,6H,7H-pyrro...) Show SMILES CN1CCN(CC1)C(=O)Oc1n(-c2ccc(Cl)cn2)c(=O)c2ncc[nH]c12 Show InChI InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,20H,6-9H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	407	-36.1	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair