Compile Data Set for Download or QSAR
Found 7 Enz. Inhib. hit(s) with all data for entry = 50029996
LigandPNGBDBM50290077(CHEMBL73416 | N-[2-(4-Chloro-phenyl)-imidazo[1,2-a...)
Show SMILES CCCC(=O)N(C)Cc1c(nc2ccccn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H20ClN3O/c1-3-6-18(24)22(2)13-16-19(14-8-10-15(20)11-9-14)21-17-7-4-5-12-23(16)17/h4-5,7-12H,3,6,13H2,1-2H3
Affinity DataIC50: 1.10nMAssay Description:In vitro functional inhibitory potency prevention of ET-1 induced constriction of rat aortic rings (ETB receptors)More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-5(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290077(CHEMBL73416 | N-[2-(4-Chloro-phenyl)-imidazo[1,2-a...)
Show SMILES CCCC(=O)N(C)Cc1c(nc2ccccn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H20ClN3O/c1-3-6-18(24)22(2)13-16-19(14-8-10-15(20)11-9-14)21-17-7-4-5-12-23(16)17/h4-5,7-12H,3,6,13H2,1-2H3
Affinity DataIC50: 2.70nMAssay Description:Receptor binding affinity was determined in a radioligand binding assay against [125I]ET1 with recombinant human ETA receptor, expressed in baculovir...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-5(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290077(CHEMBL73416 | N-[2-(4-Chloro-phenyl)-imidazo[1,2-a...)
Show SMILES CCCC(=O)N(C)Cc1c(nc2ccccn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H20ClN3O/c1-3-6-18(24)22(2)13-16-19(14-8-10-15(20)11-9-14)21-17-7-4-5-12-23(16)17/h4-5,7-12H,3,6,13H2,1-2H3
Affinity DataIC50: 4.60nMAssay Description:Inhibition of [3H]-Flumazenil binding to recombinant GABA-A receptor alpha-5 subunit in spinal cordMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM26266(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
Affinity DataIC50: 14nMAssay Description:Inhibition of [3H]-Flumazenil binding to recombinant GABA-A receptor alpha-1 subunit in cerebellumMore data for this Ligand-Target Pair
LigandPNGBDBM50290077(CHEMBL73416 | N-[2-(4-Chloro-phenyl)-imidazo[1,2-a...)
Show SMILES CCCC(=O)N(C)Cc1c(nc2ccccn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H20ClN3O/c1-3-6-18(24)22(2)13-16-19(14-8-10-15(20)11-9-14)21-17-7-4-5-12-23(16)17/h4-5,7-12H,3,6,13H2,1-2H3
Affinity DataIC50: 33nMAssay Description:Compound was evaluated for in vitro functional inhibitory potency for prevention of ET-1 induced constriction of rat aortic rings (ETA receptors)More data for this Ligand-Target Pair
LigandPNGBDBM26266(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
Affinity DataIC50: 46nMAssay Description:Compound was evaluated for in vitro functional inhibitory potency for prevention of ET-1 induced constriction of rat aortic rings (ETA receptors)More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM26266(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
Affinity DataIC50: 130nMAssay Description:Compound was evaluated for in vitro functional inhibitory potency for prevention of sarafotoxin S6c induced constriction of rat tracheal rings (ETB r...More data for this Ligand-Target Pair