Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50035975   

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 type B receptor subunit 1/2 (Rattus norvegicus (Rat))	BDBM24183 (4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...) Show SMILES NCCCC(O)=O Show InChI InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Pharmacie Chimique, Facult� de Pharmacie, Lille, France. Curated by ChEMBL					Assay Description Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.				J Med Chem 34: 2557-60 (1991) BindingDB Entry DOI: 10.7270/Q2GQ6ZC0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid type B receptor subunit 1/2 (Rattus norvegicus (Rat))	BDBM24182 (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)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Pharmacie Chimique, Facult� de Pharmacie, Lille, France. Curated by ChEMBL					Assay Description Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.				J Med Chem 34: 2557-60 (1991) BindingDB Entry DOI: 10.7270/Q2GQ6ZC0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid type B receptor subunit 1/2 (Rattus norvegicus (Rat))	BDBM24182 (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)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Pharmacie Chimique, Facult� de Pharmacie, Lille, France. Curated by ChEMBL					Assay Description Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.				J Med Chem 34: 2557-60 (1991) BindingDB Entry DOI: 10.7270/Q2GQ6ZC0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid type B receptor subunit 1/2 (Rattus norvegicus (Rat))	BDBM50007118 (4-Amino-3-(5-chloro-thiophen-2-yl)-butyric acid | ...) Show SMILES NCC(CC(O)=O)c1ccc(Cl)s1 Show InChI InChI=1S/C8H10ClNO2S/c9-7-2-1-6(13-7)5(4-10)3-8(11)12/h1-2,5H,3-4,10H2,(H,11,12)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Pharmacie Chimique, Facult� de Pharmacie, Lille, France. Curated by ChEMBL					Assay Description Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.				J Med Chem 34: 2557-60 (1991) BindingDB Entry DOI: 10.7270/Q2GQ6ZC0
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1/2 (Rattus norvegicus (Rat))	BDBM50007121 (4-Amino-3-(2-chloro-phenyl)-butyric acid | CHEMBL8...) Show SMILES NCC(CC(O)=O)c1ccccc1Cl Show InChI InChI=1S/C10H12ClNO2/c11-9-4-2-1-3-8(9)7(6-12)5-10(13)14/h1-4,7H,5-6,12H2,(H,13,14)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Pharmacie Chimique, Facult� de Pharmacie, Lille, France. Curated by ChEMBL					Assay Description Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.				J Med Chem 34: 2557-60 (1991) BindingDB Entry DOI: 10.7270/Q2GQ6ZC0
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1/2 (Rattus norvegicus (Rat))	BDBM50368295 (CHEMBL301492) Show SMILES NC[C@H](CC(O)=O)c1ccc(F)cc1 Show InChI InChI=1S/C10H12FNO2/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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Pharmacie Chimique, Facult� de Pharmacie, Lille, France. Curated by ChEMBL					Assay Description Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.				J Med Chem 34: 2557-60 (1991) BindingDB Entry DOI: 10.7270/Q2GQ6ZC0
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1/2 (Rattus norvegicus (Rat))	BDBM50007107 (4-Amino-3-(5-methyl-thiophen-2-yl)-butyric acid | ...) Show SMILES Cc1ccc(s1)C(CN)CC(O)=O Show InChI InChI=1S/C9H13NO2S/c1-6-2-3-8(13-6)7(5-10)4-9(11)12/h2-3,7H,4-5,10H2,1H3,(H,11,12)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Pharmacie Chimique, Facult� de Pharmacie, Lille, France. Curated by ChEMBL					Assay Description Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.				J Med Chem 34: 2557-60 (1991) BindingDB Entry DOI: 10.7270/Q2GQ6ZC0
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1/2 (Rattus norvegicus (Rat))	BDBM50007108 (4-Amino-3-(5-bromo-thiophen-2-yl)-butyric acid | C...) Show SMILES NCC(CC(O)=O)c1ccc(Br)s1 Show InChI InChI=1S/C8H10BrNO2S/c9-7-2-1-6(13-7)5(4-10)3-8(11)12/h1-2,5H,3-4,10H2,(H,11,12)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Pharmacie Chimique, Facult� de Pharmacie, Lille, France. Curated by ChEMBL					Assay Description Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.				J Med Chem 34: 2557-60 (1991) BindingDB Entry DOI: 10.7270/Q2GQ6ZC0
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1/2 (Rattus norvegicus (Rat))	BDBM50007117 (4-Amino-3-thiophen-2-yl-butyric acid | CHEMBL31547...) Show SMILES NCC(CC(O)=O)c1cccs1 Show InChI InChI=1S/C8H11NO2S/c9-5-6(4-8(10)11)7-2-1-3-12-7/h1-3,6H,4-5,9H2,(H,10,11)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Pharmacie Chimique, Facult� de Pharmacie, Lille, France. Curated by ChEMBL					Assay Description Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.				J Med Chem 34: 2557-60 (1991) BindingDB Entry DOI: 10.7270/Q2GQ6ZC0
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1/2 (Rattus norvegicus (Rat))	BDBM50007109 (4-Amino-3-(3-chloro-phenyl)-butyric acid | CHEMBL3...) Show SMILES NCC(CC(O)=O)c1cccc(Cl)c1 Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-2-7(4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Pharmacie Chimique, Facult� de Pharmacie, Lille, France. Curated by ChEMBL					Assay Description Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.				J Med Chem 34: 2557-60 (1991) BindingDB Entry DOI: 10.7270/Q2GQ6ZC0
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1/2 (Rattus norvegicus (Rat))	BDBM50007113 (4-Amino-3-thiophen-3-yl-butyric acid | CHEMBL87856) Show SMILES NCC(CC(O)=O)c1ccsc1 Show InChI InChI=1S/C8H11NO2S/c9-4-7(3-8(10)11)6-1-2-12-5-6/h1-2,5,7H,3-4,9H2,(H,10,11)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Pharmacie Chimique, Facult� de Pharmacie, Lille, France. Curated by ChEMBL					Assay Description Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.				J Med Chem 34: 2557-60 (1991) BindingDB Entry DOI: 10.7270/Q2GQ6ZC0
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1/2 (Rattus norvegicus (Rat))	BDBM50007110 (4-Amino-3-(4-bromo-thiophen-2-yl)-butyric acid | C...) Show SMILES NCC(CC(O)=O)c1cc(Br)cs1 Show InChI InChI=1S/C8H10BrNO2S/c9-6-2-7(13-4-6)5(3-10)1-8(11)12/h2,4-5H,1,3,10H2,(H,11,12)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Pharmacie Chimique, Facult� de Pharmacie, Lille, France. Curated by ChEMBL					Assay Description Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.				J Med Chem 34: 2557-60 (1991) BindingDB Entry DOI: 10.7270/Q2GQ6ZC0
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1/2 (Rattus norvegicus (Rat))	BDBM50007111 (4-Amino-3-(4-chloro-thiophen-2-yl)-butyric acid | ...) Show SMILES NCC(CC(O)=O)c1cc(Cl)cs1 Show InChI InChI=1S/C8H10ClNO2S/c9-6-2-7(13-4-6)5(3-10)1-8(11)12/h2,4-5H,1,3,10H2,(H,11,12)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Pharmacie Chimique, Facult� de Pharmacie, Lille, France. Curated by ChEMBL					Assay Description Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.				J Med Chem 34: 2557-60 (1991) BindingDB Entry DOI: 10.7270/Q2GQ6ZC0
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1/2 (Rattus norvegicus (Rat))	BDBM50007114 (4-Amino-3-furan-2-yl-butyric acid | CHEMBL85880) Show SMILES NCC(CC(O)=O)c1ccco1 Show InChI InChI=1S/C8H11NO3/c9-5-6(4-8(10)11)7-2-1-3-12-7/h1-3,6H,4-5,9H2,(H,10,11)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Pharmacie Chimique, Facult� de Pharmacie, Lille, France. Curated by ChEMBL					Assay Description Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.				J Med Chem 34: 2557-60 (1991) BindingDB Entry DOI: 10.7270/Q2GQ6ZC0
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1/2 (Rattus norvegicus (Rat))	BDBM50007119 (4-Amino-3-phenyl-butyric acid | CHEMBL53073) Show SMILES NC[C@H](CC(O)=O)c1ccccc1 Show InChI InChI=1S/C10H13NO2/c11-7-9(6-10(12)13)8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Pharmacie Chimique, Facult� de Pharmacie, Lille, France. Curated by ChEMBL					Assay Description Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.				J Med Chem 34: 2557-60 (1991) BindingDB Entry DOI: 10.7270/Q2GQ6ZC0
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1/2 (Rattus norvegicus (Rat))	BDBM50007112 (4-Amino-3-(5-methyl-furan-2-yl)-butyric acid | CHE...) Show SMILES Cc1ccc(o1)C(CN)CC(O)=O Show InChI InChI=1S/C9H13NO3/c1-6-2-3-8(13-6)7(5-10)4-9(11)12/h2-3,7H,4-5,10H2,1H3,(H,11,12)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Pharmacie Chimique, Facult� de Pharmacie, Lille, France. Curated by ChEMBL					Assay Description Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.				J Med Chem 34: 2557-60 (1991) BindingDB Entry DOI: 10.7270/Q2GQ6ZC0
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1/2 (Rattus norvegicus (Rat))	BDBM50007120 (4-Amino-3-(4-hydroxy-phenyl)-butyric acid | CHEMBL...) Show SMILES NCC(CC(O)=O)c1ccc(O)cc1 Show InChI InChI=1S/C10H13NO3/c11-6-8(5-10(13)14)7-1-3-9(12)4-2-7/h1-4,8,12H,5-6,11H2,(H,13,14)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Pharmacie Chimique, Facult� de Pharmacie, Lille, France. Curated by ChEMBL					Assay Description Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.				J Med Chem 34: 2557-60 (1991) BindingDB Entry DOI: 10.7270/Q2GQ6ZC0
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1/2 (Rattus norvegicus (Rat))	BDBM50007116 (4-Amino-3-(3-methyl-thiophen-2-yl)-butyric acid | ...) Show SMILES Cc1ccsc1C(CN)CC(O)=O Show InChI InChI=1S/C9H13NO2S/c1-6-2-3-13-9(6)7(5-10)4-8(11)12/h2-3,7H,4-5,10H2,1H3,(H,11,12)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.24E+5	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Pharmacie Chimique, Facult� de Pharmacie, Lille, France. Curated by ChEMBL					Assay Description Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.				J Med Chem 34: 2557-60 (1991) BindingDB Entry DOI: 10.7270/Q2GQ6ZC0
					More data for this Ligand-Target Pair