Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for entry = 50034845   

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))	BDBM50287486 (3-Amino-propane-1-sulfonic acid benzyl-hydroxy-ami...) Show SMILES NCCCS(=O)(=O)N(O)Cc1ccccc1 Show InChI InChI=1S/C10H16N2O3S/c11-7-4-8-16(14,15)12(13)9-10-5-2-1-3-6-10/h1-3,5-6,13H,4,7-9,11H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against Gamma-aminobutyric acid type B receptor in rat brain synaptosomes after 30 minutes				Bioorg Med Chem Lett 6: 1709-1714 (1996) Article DOI: 10.1016/0960-894X(96)00307-1 BindingDB Entry DOI: 10.7270/Q22J6CCH
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1/2 (Rattus norvegicus (Rat))	BDBM50287485 (3-Amino-propane-1-sulfonic acid hydroxy-methyl-ami...) Show SMILES CN(O)S(=O)(=O)CCCN Show InChI InChI=1S/C4H12N2O3S/c1-6(7)10(8,9)4-2-3-5/h7H,2-5H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against Gamma-aminobutyric acid type B receptor in rat brain synaptosomes after 30 minutes				Bioorg Med Chem Lett 6: 1709-1714 (1996) Article DOI: 10.1016/0960-894X(96)00307-1 BindingDB Entry DOI: 10.7270/Q22J6CCH
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1/2 (Rattus norvegicus (Rat))	BDBM50087276 (3-Amino-propane-1-sulfinic acid (Homohypotaurine) ...) Show SMILES NCCCS(O)=O Show InChI InChI=1S/C3H9NO2S/c4-2-1-3-7(5)6/h1-4H2,(H,5,6)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against Gamma-aminobutyric acid type B receptor in rat brain synaptosomes after 30 minutes				Bioorg Med Chem Lett 6: 1709-1714 (1996) Article DOI: 10.1016/0960-894X(96)00307-1 BindingDB Entry DOI: 10.7270/Q22J6CCH
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1/2 (Rattus norvegicus (Rat))	BDBM50287484 (CHEMBL541547 | [(3-Amino-propane-1-sulfonyl)-hydro...) Show SMILES NCCCS(=O)(=O)N(O)CC(O)=O Show InChI InChI=1S/C5H12N2O5S/c6-2-1-3-13(11,12)7(10)4-5(8)9/h10H,1-4,6H2,(H,8,9)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against Gamma-aminobutyric acid type B receptor in rat brain synaptosomes after 30 minutes				Bioorg Med Chem Lett 6: 1709-1714 (1996) Article DOI: 10.1016/0960-894X(96)00307-1 BindingDB Entry DOI: 10.7270/Q22J6CCH
					More data for this Ligand-Target Pair
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 Article	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against Gamma-aminobutyric acid type B receptor in rat brain synaptosomes after 30 minutes				Bioorg Med Chem Lett 6: 1709-1714 (1996) Article DOI: 10.1016/0960-894X(96)00307-1 BindingDB Entry DOI: 10.7270/Q22J6CCH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid type B receptor subunit 1/2 (Rattus norvegicus (Rat))	BDBM50287482 (3-Amino-propane-1-sulfonic acid hydroxyamide; hydr...) Show SMILES NCCCS(=O)(=O)NO Show InChI InChI=1S/C3H10N2O3S/c4-2-1-3-9(7,8)5-6/h5-6H,1-4H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against Gamma-aminobutyric acid type B receptor in rat brain synaptosomes after 30 minutes				Bioorg Med Chem Lett 6: 1709-1714 (1996) Article DOI: 10.1016/0960-894X(96)00307-1 BindingDB Entry DOI: 10.7270/Q22J6CCH
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1/2 (Rattus norvegicus (Rat))	BDBM50281573 (3-Amino-propane-1-sulfonic acid | 3-ammoniopropane...) Show SMILES NCCCS(O)(=O)=O Show InChI InChI=1S/C3H9NO3S/c4-2-1-3-8(5,6)7/h1-4H2,(H,5,6,7)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against Gamma-aminobutyric acid type B receptor in rat brain synaptosomes after 30 minutes				Bioorg Med Chem Lett 6: 1709-1714 (1996) Article DOI: 10.1016/0960-894X(96)00307-1 BindingDB Entry DOI: 10.7270/Q22J6CCH
					More data for this Ligand-Target Pair