Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50002634   

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
Dopamine beta-hydroxylase (Bos taurus)	BDBM50023370 (2-Thiophen-2-yl-allylamine | CHEMBL110604) Show SMILES NCC(=C)c1cccs1 Show InChI InChI=1S/C7H9NS/c1-6(5-8)7-3-2-4-9-7/h2-4H,1,5,8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline & French Laboratories Curated by ChEMBL					Assay Description KI value was determined from plots of 1/kinact(observed) vs 1/[inhibitor]				J Med Chem 31: 704-6 (1988) BindingDB Entry DOI: 10.7270/Q26972KP
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Bos taurus)	BDBM50017834 (4-(1-Aminomethyl-prop-2-ynyl)-phenol | CHEMBL16312...) Show SMILES NCC(C#C)c1ccc(O)cc1 Show InChI InChI=1S/C10H11NO/c1-2-8(7-11)9-3-5-10(12)6-4-9/h1,3-6,8,12H,7,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline & French Laboratories Curated by ChEMBL					Assay Description KI value was determined from plots of 1/kinact(observed) vs 1/[inhibitor]				J Med Chem 31: 704-6 (1988) BindingDB Entry DOI: 10.7270/Q26972KP
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Bos taurus)	BDBM50017834 (4-(1-Aminomethyl-prop-2-ynyl)-phenol | CHEMBL16312...) Show SMILES NCC(C#C)c1ccc(O)cc1 Show InChI InChI=1S/C10H11NO/c1-2-8(7-11)9-3-5-10(12)6-4-9/h1,3-6,8,12H,7,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline & French Laboratories Curated by ChEMBL					Assay Description KI value was determined from plots of 1/kinact(observed) vs 1/[inhibitor]				J Med Chem 31: 704-6 (1988) BindingDB Entry DOI: 10.7270/Q26972KP
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Bos taurus)	BDBM50017827 (4-(1-Aminomethyl-vinyl)-phenol | CHEMBL330118) Show SMILES NCC(=C)c1ccc(O)cc1 Show InChI InChI=1S/C9H11NO/c1-7(6-10)8-2-4-9(11)5-3-8/h2-5,11H,1,6,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	5.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Smith Kline & French Laboratories Curated by ChEMBL					Assay Description KI value was determined from plots of 1/kinact(observed) vs 1/[inhibitor]; Apparent values at pH 5.0, 0.24 mM O2				J Med Chem 31: 704-6 (1988) BindingDB Entry DOI: 10.7270/Q26972KP
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Bos taurus)	BDBM50023371 (4-Cyclopropylmethyl-phenol | CHEMBL162030) Show SMILES Oc1ccc(CC2CC2)cc1 Show InChI InChI=1S/C10H12O/c11-10-5-3-9(4-6-10)7-8-1-2-8/h3-6,8,11H,1-2,7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.20E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline & French Laboratories Curated by ChEMBL					Assay Description KI value was determined from plots of 1/kinact(observed) vs 1/[inhibitor]				J Med Chem 31: 704-6 (1988) BindingDB Entry DOI: 10.7270/Q26972KP
					More data for this Ligand-Target Pair