Compile Data Set for Download or QSAR

PubMed code 20684859

Found 12 hits of Enzyme Inhibition Constant Data   

TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Rattus norvegicus (Rat))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50482687(CHEMBL426916)
Show SMILES Clc1ccc(N\C=C(/C(=O)NC2CCC2)C(=O)c2ccccc2Cl)cc1
Show InChI InChI=1S/C20H18Cl2N2O2/c21-13-8-10-14(11-9-13)23-12-17(20(26)24-15-4-3-5-15)19(25)16-6-1-2-7-18(16)22/h1-2,6-12,15,23H,3-5H2,(H,24,26)/b17-12-
Affinity DataIC50: 7.10nMAssay Description:Inhibition of rat GABA alpha-1-beta-2-gamma-2 receptorMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Rattus norvegicus (Rat))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50482692(CHEMBL390326)
Show SMILES CCC(C)NC(=O)C(=C/Nc1ccc(Cl)cc1)\C(=O)c1ccccc1Cl
Show InChI InChI=1S/C20H20Cl2N2O2/c1-3-13(2)24-20(26)17(12-23-15-10-8-14(21)9-11-15)19(25)16-6-4-5-7-18(16)22/h4-13,23H,3H2,1-2H3,(H,24,26)/b17-12-
Affinity DataIC50: 20nMAssay Description:Inhibition of rat GABA alpha-1-beta-2-gamma-2 receptorMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Rattus norvegicus (Rat))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50482688(CHEMBL387958)
Show SMILES Clc1ccc(N\C=C(/C(=O)NC2CCCC2)C(=O)c2ccccc2Cl)cc1
Show InChI InChI=1S/C21H20Cl2N2O2/c22-14-9-11-15(12-10-14)24-13-18(21(27)25-16-5-1-2-6-16)20(26)17-7-3-4-8-19(17)23/h3-4,7-13,16,24H,1-2,5-6H2,(H,25,27)/b18-13-
Affinity DataIC50: 30nMAssay Description:Inhibition of rat GABA alpha-1-beta-2-gamma-2 receptorMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Rattus norvegicus (Rat))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50482694(CHEMBL229535)
Show SMILES Clc1ccc(N\C=C(/C(=O)NC2CC2)C(=O)c2ccccc2Cl)cc1
Show InChI InChI=1S/C19H16Cl2N2O2/c20-12-5-7-13(8-6-12)22-11-16(19(25)23-14-9-10-14)18(24)15-3-1-2-4-17(15)21/h1-8,11,14,22H,9-10H2,(H,23,25)/b16-11-
Affinity DataIC50: 30nMAssay Description:Inhibition of rat GABA alpha-1-beta-2-gamma-2 receptorMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Rattus norvegicus (Rat))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50215531(2-chloro-alpha-[[(4-chlorophenyl)amino]methylene]-...)
Show SMILES CC(C)NC(=O)C(C=Nc1ccc(Cl)cc1)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C19H18Cl2N2O2/c1-12(2)23-19(25)16(11-22-14-9-7-13(20)8-10-14)18(24)15-5-3-4-6-17(15)21/h3-12,16H,1-2H3,(H,23,25)
Affinity DataIC50: 40nMAssay Description:Inhibition of rat GABA alpha-1-beta-2-gamma-2 receptorMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Rattus norvegicus (Rat))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50482691(CHEMBL556727)
Show SMILES CCCNC(=O)C(=C/Nc1ccc(Cl)cc1)\C(=O)c1ccccc1Cl
Show InChI InChI=1S/C19H18Cl2N2O2/c1-2-11-22-19(25)16(12-23-14-9-7-13(20)8-10-14)18(24)15-5-3-4-6-17(15)21/h3-10,12,23H,2,11H2,1H3,(H,22,25)/b16-12-
Affinity DataIC50: 45nMAssay Description:Inhibition of rat GABA alpha-1-beta-2-gamma-2 receptorMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Rattus norvegicus (Rat))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50482690(CHEMBL229374)
Show SMILES CCNC(=O)C(=C/Nc1ccc(Cl)cc1)\C(=O)c1ccccc1Cl
Show InChI InChI=1S/C18H16Cl2N2O2/c1-2-21-18(24)15(11-22-13-9-7-12(19)8-10-13)17(23)14-5-3-4-6-16(14)20/h3-11,22H,2H2,1H3,(H,21,24)/b15-11-
Affinity DataIC50: 50nMAssay Description:Inhibition of rat GABA alpha-1-beta-2-gamma-2 receptorMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Rattus norvegicus (Rat))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50482696(CHEMBL229201)
Show SMILES CCC(CC)NC(=O)C(=C/Nc1ccc(Cl)cc1)\C(=O)c1ccccc1Cl
Show InChI InChI=1S/C21H22Cl2N2O2/c1-3-15(4-2)25-21(27)18(13-24-16-11-9-14(22)10-12-16)20(26)17-7-5-6-8-19(17)23/h5-13,15,24H,3-4H2,1-2H3,(H,25,27)/b18-13-
Affinity DataIC50: 79nMAssay Description:Inhibition of rat GABA alpha-1-beta-2-gamma-2 receptorMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Rattus norvegicus (Rat))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50482686(CHEMBL227018)
Show SMILES CNC(=O)C(=C/Nc1ccc(Cl)cc1)\C(=O)c1ccccc1Cl
Show InChI InChI=1S/C17H14Cl2N2O2/c1-20-17(23)14(10-21-12-8-6-11(18)7-9-12)16(22)13-4-2-3-5-15(13)19/h2-10,21H,1H3,(H,20,23)/b14-10-
Affinity DataIC50: 158nMAssay Description:Inhibition of rat GABA alpha-1-beta-2-gamma-2 receptorMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Rattus norvegicus (Rat))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50482689(CHEMBL388639)
Show SMILES CC(C)C(C)NC(=O)C(=C/Nc1ccc(Cl)cc1)\C(=O)c1ccccc1Cl
Show InChI InChI=1S/C21H22Cl2N2O2/c1-13(2)14(3)25-21(27)18(12-24-16-10-8-15(22)9-11-16)20(26)17-6-4-5-7-19(17)23/h4-14,24H,1-3H3,(H,25,27)/b18-12-
Affinity DataIC50: 398nMAssay Description:Inhibition of rat GABA alpha-1-beta-2-gamma-2 receptorMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Rattus norvegicus (Rat))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50482695(CHEMBL227017)
Show SMILES NC(=O)C(=C/Nc1ccc(Cl)cc1)\C(=O)c1ccccc1Cl
Show InChI InChI=1S/C16H12Cl2N2O2/c17-10-5-7-11(8-6-10)20-9-13(16(19)22)15(21)12-3-1-2-4-14(12)18/h1-9,20H,(H2,19,22)/b13-9-
Affinity DataIC50: 1.70E+3nMAssay Description:Inhibition of rat GABA alpha-1-beta-2-gamma-2 receptorMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Rattus norvegicus (Rat))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50482693(CHEMBL388638)
Show SMILES CC(C)(C)NC(=O)C(=C/Nc1ccc(Cl)cc1)\C(=O)c1ccccc1Cl
Show InChI InChI=1S/C20H20Cl2N2O2/c1-20(2,3)24-19(26)16(12-23-14-10-8-13(21)9-11-14)18(25)15-6-4-5-7-17(15)22/h4-12,23H,1-3H3,(H,24,26)/b16-12-
Affinity DataIC50: 3.02E+3nMAssay Description:Inhibition of rat GABA alpha-1-beta-2-gamma-2 receptorMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
* indicates data uncertainty>20%