Compile Data Set for Download or QSAR
Found 16 Enz. Inhib. hit(s) for PDB: 4MS4
LigandPNGBDBM24182(4-amino-3-(4-chlorophenyl)butanoic acid | Baclofen...)
Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
Affinity DataKi:  220nM ΔG°:  -37.6kJ/mole EC50:  750nMpH: 7.4 T: 2°CAssay Description:Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid type B receptor subunit 1/2(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM24182(4-amino-3-(4-chlorophenyl)butanoic acid | Baclofen...)
Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
Affinity DataKi:  6.00E+3nMAssay Description:Displacement of [3H]CGP54626 from GABA-B receptor (unknown origin) by radioligand binding assayMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid type B receptor subunit 1/2(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50032964((R)-4-Amino-3-(4-chloro-phenyl)-butyric acid | 4-A...)
Show SMILES NC[C@H](CC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1
Affinity DataIC50: 15nMAssay Description:Inhibition of [3H]-baclofen binding to Gamma-aminobutyric acid type B receptor of cat cerebellumMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid type B receptor subunit 1/2(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM24182(4-amino-3-(4-chlorophenyl)butanoic acid | Baclofen...)
Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
Affinity DataIC50: 30nMAssay Description:In vitro displacement of [3H]-GABA from Gamma-aminobutyric acid type B receptor sites in rat brain membranesMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid type B receptor subunit 1/2(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50032964((R)-4-Amino-3-(4-chloro-phenyl)-butyric acid | 4-A...)
Show SMILES NC[C@H](CC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1
Affinity DataIC50: 32nMAssay Description:Inhibition of [3H]-CGP-27,492 binding to Gamma-aminobutyric acid type B receptor of rat cortexMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid type B receptor subunit 1/2(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM24182(4-amino-3-(4-chlorophenyl)butanoic acid | Baclofen...)
Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
Affinity DataIC50: 35nMAssay Description:Inhibition of [3H]-baclofen binding to Gamma-aminobutyric acid type B receptor of cat cerebellumMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid type B receptor subunit 1/2(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM24182(4-amino-3-(4-chlorophenyl)butanoic acid | Baclofen...)
Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
Affinity DataIC50: 60nMAssay Description:Displacement of [3H]-baclofen from Gamma-aminobutyric acid type B receptor in rat brain membranesMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid type B receptor subunit 1/2(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM24182(4-amino-3-(4-chlorophenyl)butanoic acid | Baclofen...)
Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
Affinity DataIC50: 107nMAssay Description:Inhibition of [3H]-CGP-27,492 binding to Gamma-aminobutyric acid type B receptor of rat cortexMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid type B receptor subunit 1/2(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50032964((R)-4-Amino-3-(4-chloro-phenyl)-butyric acid | 4-A...)
Show SMILES NC[C@H](CC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1
Affinity DataIC50: 140nMAssay Description:Displacement of [3H]-GABA from Gamma-aminobutyric acid type B receptorMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid type B receptor subunit 1/2(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM24182(4-amino-3-(4-chlorophenyl)butanoic acid | Baclofen...)
Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
Affinity DataIC50: 180nMAssay Description:Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid type B receptor subunit 1/2(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM24182(4-amino-3-(4-chlorophenyl)butanoic acid | Baclofen...)
Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
Affinity DataIC50: 200nMAssay Description:Displacement of [3H]baclofen from Gamma-aminobutyric acid type B receptor of rat brain membranesMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid type B receptor subunit 1/2(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM24182(4-amino-3-(4-chlorophenyl)butanoic acid | Baclofen...)
Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
Affinity DataIC50: 200nMAssay Description:Binding affinity against Gamma-aminobutyric acid type B receptor in rat brain synaptosomes after 30 minutesMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid type B receptor subunit 1/2(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM24182(4-amino-3-(4-chlorophenyl)butanoic acid | Baclofen...)
Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
Affinity DataIC50: 330nMAssay Description:Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid type B receptor subunit 1/2(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM24182(4-amino-3-(4-chlorophenyl)butanoic acid | Baclofen...)
Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
Affinity DataIC50: 420nMAssay Description:Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptorMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid type B receptor subunit 1/2(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50032964((R)-4-Amino-3-(4-chloro-phenyl)-butyric acid | 4-A...)
Show SMILES NC[C@H](CC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1
Affinity DataEC50:  1.00E+3nMAssay Description:Agonist activity at human GABA-B B1/B2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 3 hr...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid type B receptor subunit 1/2(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM24182(4-amino-3-(4-chlorophenyl)butanoic acid | Baclofen...)
Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
Affinity DataEC50:  1.70E+3nMAssay Description:Agonist activity at human GABA-B B1/B2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 3 hr...More data for this Ligand-Target Pair