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PubMed code 3612682

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
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)
BDBM50000439
PNG
(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

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n/an/a 700n/an/an/an/an/an/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
Dopamine beta-hydroxylase


(Rattus norvegicus)
BDBM50014983
PNG
(1-(3,5-Difluoro-benzyl)-1,3-dihydro-imidazole-2-th...)
Show SMILES Fc1cc(F)cc(Cn2cc[nH]c2=S)c1
Show InChI InChI=1S/C10H8F2N2S/c11-8-3-7(4-9(12)5-8)6-14-2-1-13-10(14)15/h1-5H,6H2,(H,13,15)
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n/an/a 1.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Dopamine beta hydroxylase in spontaneously hypertensive rats; Value ranges from 1.1-1.4


J Med Chem 30: 1309-13 (1987)


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


(Rattus norvegicus)
BDBM50014968
PNG
(1-(4-Hydroxy-benzyl)-1,3-dihydro-imidazole-2-thion...)
Show SMILES Oc1ccc(Cn2cc[nH]c2=S)cc1
Show InChI InChI=1S/C10H10N2OS/c13-9-3-1-8(2-4-9)7-12-6-5-11-10(12)14/h1-6,13H,7H2,(H,11,14)
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n/an/a 2.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Dopamine beta hydroxylase in spontaneously hypertensive rats; Value ranges from 1.3-4.6


J Med Chem 30: 1309-13 (1987)


BindingDB Entry DOI: 10.7270/Q2MC8Z0M
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 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


(Rattus norvegicus)
BDBM50024476
PNG
(1-(5-Hydroxy-pyridin-2-ylmethyl)-1,3-dihydro-imida...)
Show SMILES Oc1ccc(Cn2cc[nH]c2=S)nc1
Show InChI InChI=1S/C9H9N3OS/c13-8-2-1-7(11-5-8)6-12-4-3-10-9(12)14/h1-5,13H,6H2,(H,10,14)
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n/an/a 2.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Dopamine beta hydroxylase in spontaneously hypertensive rats; Value ranges from 21-35


J Med Chem 30: 1309-13 (1987)


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


(Rattus norvegicus)
BDBM50024478
PNG
(1-Pyridin-3-ylmethyl-1,3-dihydro-imidazole-2-thion...)
Show SMILES S=c1[nH]ccn1Cc1cccnc1
Show InChI InChI=1S/C9H9N3S/c13-9-11-4-5-12(9)7-8-2-1-3-10-6-8/h1-6H,7H2,(H,11,13)
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n/an/a 1.04E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Dopamine beta hydroxylase in spontaneously hypertensive rats; Value ranges from 89-121


J Med Chem 30: 1309-13 (1987)


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


(Rattus norvegicus)
BDBM50024477
PNG
(1-Pyridin-2-ylmethyl-1,3-dihydro-imidazole-2-thion...)
Show SMILES S=c1[nH]ccn1Cc1ccccn1
Show InChI InChI=1S/C9H9N3S/c13-9-11-5-6-12(9)7-8-3-1-2-4-10-8/h1-6H,7H2,(H,11,13)
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n/an/a 1.31E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Dopamine beta hydroxylase in spontaneously hypertensive rats; Value ranges from 76-220


J Med Chem 30: 1309-13 (1987)


BindingDB Entry DOI: 10.7270/Q2MC8Z0M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%