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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Dopamine beta-hydroxylase' and Ligand = 'BDBM50025809'   
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


(Bos taurus)
BDBM50025809
PNG
(1-(3-Methoxy-benzyl)-1,3-dihydro-imidazole-2-thion...)
Show SMILES COc1cccc(Cn2cc[nH]c2=S)c1
Show InChI InChI=1S/C11H12N2OS/c1-14-10-4-2-3-9(7-10)8-13-6-5-12-11(13)15/h2-7H,8H2,1H3,(H,12,15)
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n/an/a 1.57E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (118-215).


J Med Chem 30: 486-94 (1987)


BindingDB Entry DOI: 10.7270/Q2FJ2FSM
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Rattus norvegicus)
BDBM50025809
PNG
(1-(3-Methoxy-benzyl)-1,3-dihydro-imidazole-2-thion...)
Show SMILES COc1cccc(Cn2cc[nH]c2=S)c1
Show InChI InChI=1S/C11H12N2OS/c1-14-10-4-2-3-9(7-10)8-13-6-5-12-11(13)15/h2-7H,8H2,1H3,(H,12,15)
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n/an/a 1.58E+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
Dopamine beta-hydroxylase


(Homo sapiens (Human))
BDBM50025809
PNG
(1-(3-Methoxy-benzyl)-1,3-dihydro-imidazole-2-thion...)
Show SMILES COc1cccc(Cn2cc[nH]c2=S)c1
Show InChI InChI=1S/C11H12N2OS/c1-14-10-4-2-3-9(7-10)8-13-6-5-12-11(13)15/h2-7H,8H2,1H3,(H,12,15)
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Article
PubMed
n/an/a 1.58E+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))
BDBM50025809
PNG
(1-(3-Methoxy-benzyl)-1,3-dihydro-imidazole-2-thion...)
Show SMILES COc1cccc(Cn2cc[nH]c2=S)c1
Show InChI InChI=1S/C11H12N2OS/c1-14-10-4-2-3-9(7-10)8-13-6-5-12-11(13)15/h2-7H,8H2,1H3,(H,12,15)
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n/an/a 1.58E+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