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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Dopamine beta-hydroxylase' and Ligand = 'BDBM50014960'   
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


(Rattus norvegicus)
BDBM50014960
PNG
(1-Benzyl-1,3-dihydro-imidazole-2-thione | 1-Benzyl...)
Show SMILES S=c1[nH]ccn1Cc1ccccc1
Show InChI InChI=1S/C10H10N2S/c13-10-11-6-7-12(10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,11,13)
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n/an/a 1.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Dopamine beta hydroxylase in spontaneously hypertensive rats; Value range from 8.9-13


J Med Chem 30: 1309-13 (1987)


BindingDB Entry DOI: 10.7270/Q2MC8Z0M
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Bos taurus)
BDBM50014960
PNG
(1-Benzyl-1,3-dihydro-imidazole-2-thione | 1-Benzyl...)
Show SMILES S=c1[nH]ccn1Cc1ccccc1
Show InChI InChI=1S/C10H10N2S/c13-10-11-6-7-12(10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,11,13)
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n/an/a 3.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Dopamine beta hydroxylase.


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)
BDBM50014960
PNG
(1-Benzyl-1,3-dihydro-imidazole-2-thione | 1-Benzyl...)
Show SMILES S=c1[nH]ccn1Cc1ccccc1
Show InChI InChI=1S/C10H10N2S/c13-10-11-6-7-12(10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,11,13)
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n/an/a 3.20E+4n/an/an/an/an/an/a



Smith Kline & French Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against bovine dopamine beta-hydroxylase(DBH)


J Med Chem 33: 781-9 (1990)


BindingDB Entry DOI: 10.7270/Q2DZ078G
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Bos taurus)
BDBM50014960
PNG
(1-Benzyl-1,3-dihydro-imidazole-2-thione | 1-Benzyl...)
Show SMILES S=c1[nH]ccn1Cc1ccccc1
Show InChI InChI=1S/C10H10N2S/c13-10-11-6-7-12(10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,11,13)
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n/an/a 3.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory Concentration against bovine v (DBH); Range is between (20-46).


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)
BDBM50014960
PNG
(1-Benzyl-1,3-dihydro-imidazole-2-thione | 1-Benzyl...)
Show SMILES S=c1[nH]ccn1Cc1ccccc1
Show InChI InChI=1S/C10H10N2S/c13-10-11-6-7-12(10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,11,13)
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n/an/a 3.31E+4n/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))
BDBM50014960
PNG
(1-Benzyl-1,3-dihydro-imidazole-2-thione | 1-Benzyl...)
Show SMILES S=c1[nH]ccn1Cc1ccccc1
Show InChI InChI=1S/C10H10N2S/c13-10-11-6-7-12(10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,11,13)
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Article
PubMed
n/an/a 3.31E+4n/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))
BDBM50014960
PNG
(1-Benzyl-1,3-dihydro-imidazole-2-thione | 1-Benzyl...)
Show SMILES S=c1[nH]ccn1Cc1ccccc1
Show InChI InChI=1S/C10H10N2S/c13-10-11-6-7-12(10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,11,13)
PDB

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n/an/a 3.31E+4n/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