Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for entry = 50029111   

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))	BDBM24185 ((3-aminopropyl)(methyl)phosphinic acid | 3-Apmpa |...) Show SMILES CP(O)(=O)CCCN Show InChI InChI=1S/C4H12NO2P/c1-8(6,7)4-2-3-5/h2-5H2,1H3,(H,6,7)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro displacement of [3H]-GABA from Gamma-aminobutyric acid type B receptor sites in rat brain membranes				Bioorg Med Chem Lett 3: 515-518 (1993) Article DOI: 10.1016/S0960-894X(01)81218-X BindingDB Entry DOI: 10.7270/Q2BR8S4N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid type B receptor subunit 1/2 (Rattus norvegicus (Rat))	BDBM24184 ((3-aminopropyl)phosphinic acid | 3-aminopropylphos...) Show SMILES NCCCP(O)=O Show InChI InChI=1S/C3H10NO2P/c4-2-1-3-7(5)6/h7H,1-4H2,(H,5,6)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro displacement of [3H]-GABA from Gamma-aminobutyric acid type B receptor sites in rat brain membranes				Bioorg Med Chem Lett 3: 515-518 (1993) Article DOI: 10.1016/S0960-894X(01)81218-X BindingDB Entry DOI: 10.7270/Q2BR8S4N
					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	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro displacement of [3H]-GABA from Gamma-aminobutyric acid type B receptor sites in rat brain membranes				Bioorg Med Chem Lett 3: 515-518 (1993) Article DOI: 10.1016/S0960-894X(01)81218-X BindingDB Entry DOI: 10.7270/Q2BR8S4N
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 Article	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro displacement of [3H]-GABA from Gamma-aminobutyric acid type B receptor sites in rat brain membranes				Bioorg Med Chem Lett 3: 515-518 (1993) Article DOI: 10.1016/S0960-894X(01)81218-X BindingDB Entry DOI: 10.7270/Q2BR8S4N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid type B receptor subunit 1/2 (Rattus norvegicus (Rat))	BDBM50033027 ((3-Amino-propyl)-hexyl-phosphinic acid | CHEMBL113...) Show SMILES CCCCCCP(O)(=O)CCCN Show InChI InChI=1S/C9H22NO2P/c1-2-3-4-5-8-13(11,12)9-6-7-10/h2-10H2,1H3,(H,11,12)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro displacement of [3H]-GABA from Gamma-aminobutyric acid type B receptor sites in rat brain membranes				Bioorg Med Chem Lett 3: 515-518 (1993) Article DOI: 10.1016/S0960-894X(01)81218-X BindingDB Entry DOI: 10.7270/Q2BR8S4N
					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	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro displacement of [3H]-GABA from Gamma-aminobutyric acid type B receptor sites in rat brain membranes				Bioorg Med Chem Lett 3: 515-518 (1993) Article DOI: 10.1016/S0960-894X(01)81218-X BindingDB Entry DOI: 10.7270/Q2BR8S4N
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1/2 (Rattus norvegicus (Rat))	BDBM50032981 ((3-Amino-propyl)-phosphonic acid | CHEMBL286077 | ...) Show SMILES NCCCP(O)(O)=O Show InChI InChI=1S/C3H10NO3P/c4-2-1-3-8(5,6)7/h1-4H2,(H2,5,6,7)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro displacement of [3H]-GABA from Gamma-aminobutyric acid type B receptor sites in rat brain membranes				Bioorg Med Chem Lett 3: 515-518 (1993) Article DOI: 10.1016/S0960-894X(01)81218-X BindingDB Entry DOI: 10.7270/Q2BR8S4N
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1/2 (Rattus norvegicus (Rat))	BDBM50033003 ((3-Amino-propyl)-diethoxymethyl-phosphinic acid | ...) Show SMILES CCOC(OCC)P(O)(=O)CCCN Show InChI InChI=1S/C8H20NO4P/c1-3-12-8(13-4-2)14(10,11)7-5-6-9/h8H,3-7,9H2,1-2H3,(H,10,11)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro displacement of [3H]-GABA from Gamma-aminobutyric acid type B receptor sites in rat brain membranes				Bioorg Med Chem Lett 3: 515-518 (1993) Article DOI: 10.1016/S0960-894X(01)81218-X BindingDB Entry DOI: 10.7270/Q2BR8S4N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid type B receptor subunit 1/2 (Rattus norvegicus (Rat))	BDBM50032972 ((3-Amino-propyl)-ethyl-phosphinic acid | CGP-36216...) Show SMILES CCP(O)(=O)CCCN Show InChI InChI=1S/C5H14NO2P/c1-2-9(7,8)5-3-4-6/h2-6H2,1H3,(H,7,8)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro displacement of [3H]-GABA from Gamma-aminobutyric acid type B receptor sites in rat brain membranes				Bioorg Med Chem Lett 3: 515-518 (1993) Article DOI: 10.1016/S0960-894X(01)81218-X BindingDB Entry DOI: 10.7270/Q2BR8S4N
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1/2 (Rattus norvegicus (Rat))	BDBM50281572 (2-amino-ethanol dihydrogen phosphate | 2-amino-eth...) Show SMILES NCCOP(O)(O)=O Show InChI InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro displacement of [3H]-GABA from Gamma-aminobutyric acid type B receptor sites in rat brain membranes				Bioorg Med Chem Lett 3: 515-518 (1993) Article DOI: 10.1016/S0960-894X(01)81218-X BindingDB Entry DOI: 10.7270/Q2BR8S4N
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1/2 (Rattus norvegicus (Rat))	BDBM50281574 (CHEMBL341858 | Sulfuric acid mono-(2-amino-ethyl) ...) Show SMILES NCCOS(O)(=O)=O Show InChI InChI=1S/C2H7NO4S/c3-1-2-7-8(4,5)6/h1-3H2,(H,4,5,6)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents	Article	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro displacement of [3H]-GABA from Gamma-aminobutyric acid type B receptor sites in rat brain membranes				Bioorg Med Chem Lett 3: 515-518 (1993) Article DOI: 10.1016/S0960-894X(01)81218-X BindingDB Entry DOI: 10.7270/Q2BR8S4N
					More data for this Ligand-Target Pair