Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Dopamine beta-hydroxylase' and Ligand = 'BDBM50000439'   

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)	BDBM50000439 (5-Butyl-pyridine-2-carboxylic acid | 5-Butyl-pyrid...) Show SMILES CCCCc1ccc(nc1)C(O)=O Show InChI InChI=1S/C10H13NO2/c1-2-3-4-8-5-6-9(10(12)13)11-7-8/h5-7H,2-4H2,1H3,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents	PubMed	149	n/a	n/a	n/a	n/a	n/a	n/a	4.5	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards Dopamine beta hydroxylase using tyramine substrate at pH 4.5 in the absence of fumarate				J Med Chem 29: 887-9 (1986) BindingDB Entry DOI: 10.7270/Q2JH3K55
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Bos taurus)	BDBM50000439 (5-Butyl-pyridine-2-carboxylic acid | 5-Butyl-pyrid...) Show SMILES CCCCc1ccc(nc1)C(O)=O Show InChI InChI=1S/C10H13NO2/c1-2-3-4-8-5-6-9(10(12)13)11-7-8/h5-7H,2-4H2,1H3,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents	PubMed	149	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of Dopamine beta hydroxylase at pH 4.5				J Med Chem 29: 2465-72 (1987) BindingDB Entry DOI: 10.7270/Q2BR8R5P
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Bos taurus)	BDBM50000439 (5-Butyl-pyridine-2-carboxylic acid | 5-Butyl-pyrid...) Show SMILES CCCCc1ccc(nc1)C(O)=O Show InChI InChI=1S/C10H13NO2/c1-2-3-4-8-5-6-9(10(12)13)11-7-8/h5-7H,2-4H2,1H3,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of bovine adrenal medulla DBH incubated for 25 mins				Citation and Details Article DOI: 10.1016/j.bmc.2020.115820 BindingDB Entry DOI: 10.7270/Q2WW7N96
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Rattus norvegicus)	BDBM50000439 (5-Butyl-pyridine-2-carboxylic acid | 5-Butyl-pyrid...) Show SMILES CCCCc1ccc(nc1)C(O)=O Show InChI InChI=1S/C10H13NO2/c1-2-3-4-8-5-6-9(10(12)13)11-7-8/h5-7H,2-4H2,1H3,(H,12,13)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Dopamine beta hydroxylase in spontaneously hypertensive rats; Value ranges from 0.4-1.1				J Med Chem 30: 1309-13 (1987) BindingDB Entry DOI: 10.7270/Q2MC8Z0M
					More data for this Ligand-Target Pair