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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Dopamine beta-hydroxylase' and Ligand = 'BDBM50406072'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Dopamine beta-hydroxylase


(Homo sapiens (Human))
BDBM50406072
PNG
(CHEMBL65265)
Show SMILES Cc1ccc(Cn2cc[nH]c2=S)cc1
Show InChI InChI=1S/C11H12N2S/c1-9-2-4-10(5-3-9)8-13-7-6-12-11(13)14/h2-7H,8H2,1H3,(H,12,14)
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PC sid
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Similars

Article
PubMed
n/an/a 1.48E+5n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Inhibition of dopamine beta-hydroxylase (DbetaH) enzyme


J Med Chem 40: 4360-71 (1998)


Article DOI: 10.1021/jm970488n
BindingDB Entry DOI: 10.7270/Q2BZ6784
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens (Human))
BDBM50406072
PNG
(CHEMBL65265)
Show SMILES Cc1ccc(Cn2cc[nH]c2=S)cc1
Show InChI InChI=1S/C11H12N2S/c1-9-2-4-10(5-3-9)8-13-7-6-12-11(13)14/h2-7H,8H2,1H3,(H,12,14)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a 1.48E+5n/an/an/an/an/an/a



Molecular Simulations Inc

Curated by ChEMBL


Assay Description
Inhibition of dopamine beta hydroxylase


J Med Chem 38: 2091-102 (1995)


BindingDB Entry DOI: 10.7270/Q2W37XH8
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Rattus norvegicus)
BDBM50406072
PNG
(CHEMBL65265)
Show SMILES Cc1ccc(Cn2cc[nH]c2=S)cc1
Show InChI InChI=1S/C11H12N2S/c1-9-2-4-10(5-3-9)8-13-7-6-12-11(13)14/h2-7H,8H2,1H3,(H,12,14)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.48E+5n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of dopamine beta-hydroxylase (DbetaH) in hypertensive rats when administered orally (or) intraperitoneally


J Med Chem 33: 274-81 (1990)


BindingDB Entry DOI: 10.7270/Q26Q1ZD2
More data for this
Ligand-Target Pair