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Compile Data Set for Download or QSAR

Found 97 hits Enz. Inhib. hit(s) with Target = 'Dopamine beta-hydroxylase' AND taxid = 9606   
Target
(Institution)
LigandTarget
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)
BDBM50014978
PNG
(1-(3,5-Difluoro-4-hydroxy-benzyl)-1,3-dihydro-imid...)
Show SMILES Oc1c(F)cc(Cn2cc[nH]c2=S)cc1F
Show InChI InChI=1S/C10H8F2N2OS/c11-7-3-6(4-8(12)9(7)15)5-14-2-1-13-10(14)16/h1-4,15H,5H2,(H,13,16)
PDB

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PubMed
n/an/a 74.1n/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)

More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
BDBM50014978
PNG
(1-(3,5-Difluoro-4-hydroxy-benzyl)-1,3-dihydro-imid...)
Show SMILES Oc1c(F)cc(Cn2cc[nH]c2=S)cc1F
Show InChI InChI=1S/C10H8F2N2OS/c11-7-3-6(4-8(12)9(7)15)5-14-2-1-13-10(14)16/h1-4,15H,5H2,(H,13,16)
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n/an/a 74.1n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
BDBM50025811
PNG
(1-(3,5-Dichloro-4-hydroxy-benzyl)-1,3-dihydro-imid...)
Show SMILES Oc1c(Cl)cc(Cn2cc[nH]c2=S)cc1Cl
Show InChI InChI=1S/C10H8Cl2N2OS/c11-7-3-6(4-8(12)9(7)15)5-14-2-1-13-10(14)16/h1-4,15H,5H2,(H,13,16)
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n/an/a 676n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
BDBM50025811
PNG
(1-(3,5-Dichloro-4-hydroxy-benzyl)-1,3-dihydro-imid...)
Show SMILES Oc1c(Cl)cc(Cn2cc[nH]c2=S)cc1Cl
Show InChI InChI=1S/C10H8Cl2N2OS/c11-7-3-6(4-8(12)9(7)15)5-14-2-1-13-10(14)16/h1-4,15H,5H2,(H,13,16)
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n/an/a 676n/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)

More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
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



Harvard University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
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



Molecular Simulations Inc

Curated by ChEMBL


Assay Description
Inhibition of dopamine beta hydroxylase


J Med Chem 38: 2091-102 (1995)

More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
BDBM50025795
PNG
(1-(3-Fluoro-4-hydroxy-benzyl)-1,3-dihydro-imidazol...)
Show SMILES Oc1ccc(Cn2cc[nH]c2=S)cc1F
Show InChI InChI=1S/C10H9FN2OS/c11-8-5-7(1-2-9(8)14)6-13-4-3-12-10(13)15/h1-5,14H,6H2,(H,12,15)
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n/an/a 1.51E+3n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
BDBM50025795
PNG
(1-(3-Fluoro-4-hydroxy-benzyl)-1,3-dihydro-imidazol...)
Show SMILES Oc1ccc(Cn2cc[nH]c2=S)cc1F
Show InChI InChI=1S/C10H9FN2OS/c11-8-5-7(1-2-9(8)14)6-13-4-3-12-10(13)15/h1-5,14H,6H2,(H,12,15)
PDB

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n/an/a 1.51E+3n/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)

More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
BDBM50025806
PNG
(1-(3-Chloro-4-hydroxy-benzyl)-1,3-dihydro-imidazol...)
Show SMILES Oc1ccc(Cn2cc[nH]c2=S)cc1Cl
Show InChI InChI=1S/C10H9ClN2OS/c11-8-5-7(1-2-9(8)14)6-13-4-3-12-10(13)15/h1-5,14H,6H2,(H,12,15)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
BDBM50025806
PNG
(1-(3-Chloro-4-hydroxy-benzyl)-1,3-dihydro-imidazol...)
Show SMILES Oc1ccc(Cn2cc[nH]c2=S)cc1Cl
Show InChI InChI=1S/C10H9ClN2OS/c11-8-5-7(1-2-9(8)14)6-13-4-3-12-10(13)15/h1-5,14H,6H2,(H,12,15)
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n/an/a 2.00E+3n/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)

More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
BDBM50025803
PNG
(1-(3,4-Dihydroxy-benzyl)-1,3-dihydro-imidazole-2-t...)
Show SMILES Oc1ccc(Cn2cc[nH]c2=S)cc1O
Show InChI InChI=1S/C10H10N2O2S/c13-8-2-1-7(5-9(8)14)6-12-4-3-11-10(12)15/h1-5,13-14H,6H2,(H,11,15)
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n/an/a 2.19E+3n/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)

More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
BDBM50025803
PNG
(1-(3,4-Dihydroxy-benzyl)-1,3-dihydro-imidazole-2-t...)
Show SMILES Oc1ccc(Cn2cc[nH]c2=S)cc1O
Show InChI InChI=1S/C10H10N2O2S/c13-8-2-1-7(5-9(8)14)6-12-4-3-11-10(12)15/h1-5,13-14H,6H2,(H,11,15)
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n/an/a 2.19E+3n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
BDBM50025793
PNG
(1-(3,5-Dichloro-benzyl)-1,3-dihydro-imidazole-2-th...)
Show SMILES Clc1cc(Cl)cc(Cn2cc[nH]c2=S)c1
Show InChI InChI=1S/C10H8Cl2N2S/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 2.40E+3n/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)

More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
BDBM50025793
PNG
(1-(3,5-Dichloro-benzyl)-1,3-dihydro-imidazole-2-th...)
Show SMILES Clc1cc(Cl)cc(Cn2cc[nH]c2=S)c1
Show InChI InChI=1S/C10H8Cl2N2S/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 2.40E+3n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
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 2.57E+3n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
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 2.57E+3n/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)

More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
BDBM50014969
PNG
(1-(3-Fluoro-benzyl)-1,3-dihydro-imidazole-2-thione...)
Show SMILES Fc1cccc(Cn2cc[nH]c2=S)c1
Show InChI InChI=1S/C10H9FN2S/c11-9-3-1-2-8(6-9)7-13-5-4-12-10(13)14/h1-6H,7H2,(H,12,14)
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n/an/a 5.62E+3n/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)

More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
BDBM50014969
PNG
(1-(3-Fluoro-benzyl)-1,3-dihydro-imidazole-2-thione...)
Show SMILES Fc1cccc(Cn2cc[nH]c2=S)c1
Show InChI InChI=1S/C10H9FN2S/c11-9-3-1-2-8(6-9)7-13-5-4-12-10(13)14/h1-6H,7H2,(H,12,14)
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n/an/a 5.62E+3n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
BDBM50025789
PNG
(1-(3-Chloro-benzyl)-1,3-dihydro-imidazole-2-thione...)
Show SMILES Clc1cccc(Cn2cc[nH]c2=S)c1
Show InChI InChI=1S/C10H9ClN2S/c11-9-3-1-2-8(6-9)7-13-5-4-12-10(13)14/h1-6H,7H2,(H,12,14)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
BDBM50025810
PNG
(1-(3-Bromo-4-hydroxy-benzyl)-1,3-dihydro-imidazole...)
Show SMILES Oc1ccc(Cn2cc[nH]c2=S)cc1Br
Show InChI InChI=1S/C10H9BrN2OS/c11-8-5-7(1-2-9(8)14)6-13-4-3-12-10(13)15/h1-5,14H,6H2,(H,12,15)
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n/an/a 1.20E+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)

More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
BDBM50025789
PNG
(1-(3-Chloro-benzyl)-1,3-dihydro-imidazole-2-thione...)
Show SMILES Clc1cccc(Cn2cc[nH]c2=S)c1
Show InChI InChI=1S/C10H9ClN2S/c11-9-3-1-2-8(6-9)7-13-5-4-12-10(13)14/h1-6H,7H2,(H,12,14)
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n/an/a 1.20E+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)

More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
BDBM50025810
PNG
(1-(3-Bromo-4-hydroxy-benzyl)-1,3-dihydro-imidazole...)
Show SMILES Oc1ccc(Cn2cc[nH]c2=S)cc1Br
Show InChI InChI=1S/C10H9BrN2OS/c11-8-5-7(1-2-9(8)14)6-13-4-3-12-10(13)15/h1-5,14H,6H2,(H,12,15)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
BDBM50025791
PNG
(1-(2,4-Dichloro-benzyl)-1,3-dihydro-imidazole-2-th...)
Show SMILES Clc1ccc(Cn2cc[nH]c2=S)c(Cl)c1
Show InChI InChI=1S/C10H8Cl2N2S/c11-8-2-1-7(9(12)5-8)6-14-4-3-13-10(14)15/h1-5H,6H2,(H,13,15)
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n/an/a 1.70E+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)

More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
BDBM50025791
PNG
(1-(2,4-Dichloro-benzyl)-1,3-dihydro-imidazole-2-th...)
Show SMILES Clc1ccc(Cn2cc[nH]c2=S)c(Cl)c1
Show InChI InChI=1S/C10H8Cl2N2S/c11-8-2-1-7(9(12)5-8)6-14-4-3-13-10(14)15/h1-5H,6H2,(H,13,15)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
BDBM50025797
PNG
(1-(3,4-Dichloro-benzyl)-1,3-dihydro-imidazole-2-th...)
Show SMILES Clc1ccc(Cn2cc[nH]c2=S)cc1Cl
Show InChI InChI=1S/C10H8Cl2N2S/c11-8-2-1-7(5-9(8)12)6-14-4-3-13-10(14)15/h1-5H,6H2,(H,13,15)
PDB

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n/an/a 2.82E+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)

More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
BDBM50025797
PNG
(1-(3,4-Dichloro-benzyl)-1,3-dihydro-imidazole-2-th...)
Show SMILES Clc1ccc(Cn2cc[nH]c2=S)cc1Cl
Show InChI InChI=1S/C10H8Cl2N2S/c11-8-2-1-7(5-9(8)12)6-14-4-3-13-10(14)15/h1-5H,6H2,(H,13,15)
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n/an/a 2.82E+4n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
BDBM50025785
PNG
(1-(4-Hydroxy-3-nitro-benzyl)-1,3-dihydro-imidazole...)
Show SMILES Oc1ccc(Cn2cc[nH]c2=S)cc1[N+]([O-])=O
Show InChI InChI=1S/C10H9N3O3S/c14-9-2-1-7(5-8(9)13(15)16)6-12-4-3-11-10(12)17/h1-5,14H,6H2,(H,11,17)
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n/an/a 3.09E+4n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
BDBM50025785
PNG
(1-(4-Hydroxy-3-nitro-benzyl)-1,3-dihydro-imidazole...)
Show SMILES Oc1ccc(Cn2cc[nH]c2=S)cc1[N+]([O-])=O
Show InChI InChI=1S/C10H9N3O3S/c14-9-2-1-7(5-8(9)13(15)16)6-12-4-3-11-10(12)17/h1-5,14H,6H2,(H,11,17)
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n/an/a 3.09E+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)

More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
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



Harvard University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
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



Molecular Simulations Inc

Curated by ChEMBL


Assay Description
Inhibition of dopamine beta hydroxylase


J Med Chem 38: 2091-102 (1995)

More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
BDBM50025790
PNG
(1-(3,5-Difluoro-4-methoxy-benzyl)-1,3-dihydro-imid...)
Show SMILES COc1c(F)cc(Cn2cc[nH]c2=S)cc1F
Show InChI InChI=1S/C11H10F2N2OS/c1-16-10-8(12)4-7(5-9(10)13)6-15-3-2-14-11(15)17/h2-5H,6H2,1H3,(H,14,17)
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n/an/a 3.63E+4n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
BDBM50025790
PNG
(1-(3,5-Difluoro-4-methoxy-benzyl)-1,3-dihydro-imid...)
Show SMILES COc1c(F)cc(Cn2cc[nH]c2=S)cc1F
Show InChI InChI=1S/C11H10F2N2OS/c1-16-10-8(12)4-7(5-9(10)13)6-15-3-2-14-11(15)17/h2-5H,6H2,1H3,(H,14,17)
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n/an/a 3.63E+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)

More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
BDBM50025802
PNG
(1-(4-Fluoro-benzyl)-1,3-dihydro-imidazole-2-thione...)
Show SMILES Fc1ccc(Cn2cc[nH]c2=S)cc1
Show InChI InChI=1S/C10H9FN2S/c11-9-3-1-8(2-4-9)7-13-6-5-12-10(13)14/h1-6H,7H2,(H,12,14)
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n/an/a 4.68E+4n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
BDBM50025799
PNG
(1-(3,5-Dichloro-4-methoxy-benzyl)-1,3-dihydro-imid...)
Show SMILES COc1c(Cl)cc(Cn2cc[nH]c2=S)cc1Cl
Show InChI InChI=1S/C11H10Cl2N2OS/c1-16-10-8(12)4-7(5-9(10)13)6-15-3-2-14-11(15)17/h2-5H,6H2,1H3,(H,14,17)
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n/an/a 4.68E+4n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
BDBM50025799
PNG
(1-(3,5-Dichloro-4-methoxy-benzyl)-1,3-dihydro-imid...)
Show SMILES COc1c(Cl)cc(Cn2cc[nH]c2=S)cc1Cl
Show InChI InChI=1S/C11H10Cl2N2OS/c1-16-10-8(12)4-7(5-9(10)13)6-15-3-2-14-11(15)17/h2-5H,6H2,1H3,(H,14,17)
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n/an/a 4.68E+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)

More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
BDBM50025802
PNG
(1-(4-Fluoro-benzyl)-1,3-dihydro-imidazole-2-thione...)
Show SMILES Fc1ccc(Cn2cc[nH]c2=S)cc1
Show InChI InChI=1S/C10H9FN2S/c11-9-3-1-8(2-4-9)7-13-6-5-12-10(13)14/h1-6H,7H2,(H,12,14)
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n/an/a 4.68E+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)

More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
BDBM50025804
PNG
(1-(4-Hydroxy-3-methyl-benzyl)-1,3-dihydro-imidazol...)
Show SMILES Cc1cc(Cn2cc[nH]c2=S)ccc1O
Show InChI InChI=1S/C11H12N2OS/c1-8-6-9(2-3-10(8)14)7-13-5-4-12-11(13)15/h2-6,14H,7H2,1H3,(H,12,15)
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n/an/a 4.90E+4n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
BDBM50025804
PNG
(1-(4-Hydroxy-3-methyl-benzyl)-1,3-dihydro-imidazol...)
Show SMILES Cc1cc(Cn2cc[nH]c2=S)ccc1O
Show InChI InChI=1S/C11H12N2OS/c1-8-6-9(2-3-10(8)14)7-13-5-4-12-11(13)15/h2-6,14H,7H2,1H3,(H,12,15)
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n/an/a 4.90E+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)

More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
BDBM50017845
PNG
(3-(3,4-Dihydroxy-5-nitro-phenyl)-1-(3,4,5-trimetho...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)\C=C\c1cc(O)c(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C18H17NO8/c1-25-15-8-11(9-16(26-2)18(15)27-3)13(20)5-4-10-6-12(19(23)24)17(22)14(21)7-10/h4-9,21-22H,1-3H3/b5-4+
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n/an/a 5.00E+4n/an/an/an/an/an/a



Orion Corporation Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against the dopamine beta hydroxylase


J Med Chem 32: 841-6 (1989)

More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
BDBM50017857
PNG
(3-(3,4-Dihydroxy-5-nitro-phenyl)-1-phenyl-propenon...)
Show SMILES Oc1cc(\C=C\C(=O)c2ccccc2)cc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C15H11NO5/c17-13(11-4-2-1-3-5-11)7-6-10-8-12(16(20)21)15(19)14(18)9-10/h1-9,18-19H/b7-6+
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n/an/a 5.00E+4n/an/an/an/an/an/a



Orion Corporation Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against the dopamine beta hydroxylase


J Med Chem 32: 841-6 (1989)

More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
BDBM50017850
PNG
(1-(3,4-Dihydroxy-phenyl)-2-methyl-propan-1-one | C...)
Show SMILES CC(C)C(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C10H12O3/c1-6(2)10(13)7-3-4-8(11)9(12)5-7/h3-6,11-12H,1-2H3
PDB

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n/an/a 5.00E+4n/an/an/an/an/an/a



Orion Corporation Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against the dopamine beta hydroxylase


J Med Chem 32: 841-6 (1989)

More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
BDBM50025787
PNG
(1-(2,3-Dichloro-benzyl)-1,3-dihydro-imidazole-2-th...)
Show SMILES Clc1cccc(Cn2cc[nH]c2=S)c1Cl
Show InChI InChI=1S/C10H8Cl2N2S/c11-8-3-1-2-7(9(8)12)6-14-5-4-13-10(14)15/h1-5H,6H2,(H,13,15)
PDB

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n/an/a 5.25E+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)

More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
BDBM50025787
PNG
(1-(2,3-Dichloro-benzyl)-1,3-dihydro-imidazole-2-th...)
Show SMILES Clc1cccc(Cn2cc[nH]c2=S)c1Cl
Show InChI InChI=1S/C10H8Cl2N2S/c11-8-3-1-2-7(9(8)12)6-14-5-4-13-10(14)15/h1-5H,6H2,(H,13,15)
PDB

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n/an/a 5.25E+4n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
BDBM50025807
PNG
(1-(4-Nitro-benzyl)-1,3-dihydro-imidazole-2-thione ...)
Show SMILES [O-][N+](=O)c1ccc(Cn2cc[nH]c2=S)cc1
Show InChI InChI=1S/C10H9N3O2S/c14-13(15)9-3-1-8(2-4-9)7-12-6-5-11-10(12)16/h1-6H,7H2,(H,11,16)
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n/an/a 5.25E+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)

More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
BDBM50025807
PNG
(1-(4-Nitro-benzyl)-1,3-dihydro-imidazole-2-thione ...)
Show SMILES [O-][N+](=O)c1ccc(Cn2cc[nH]c2=S)cc1
Show InChI InChI=1S/C10H9N3O2S/c14-13(15)9-3-1-8(2-4-9)7-12-6-5-11-10(12)16/h1-6H,7H2,(H,11,16)
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n/an/a 5.25E+4n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
BDBM50025808
PNG
(1-(2,3,5,6-Tetrafluoro-4-hydroxy-benzyl)-1,3-dihyd...)
Show SMILES Oc1c(F)c(F)c(Cn2cc[nH]c2=S)c(F)c1F
Show InChI InChI=1S/C10H6F4N2OS/c11-5-4(3-16-2-1-15-10(16)18)6(12)8(14)9(17)7(5)13/h1-2,17H,3H2,(H,15,18)
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n/an/a 6.17E+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)

More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
BDBM50025808
PNG
(1-(2,3,5,6-Tetrafluoro-4-hydroxy-benzyl)-1,3-dihyd...)
Show SMILES Oc1c(F)c(F)c(Cn2cc[nH]c2=S)c(F)c1F
Show InChI InChI=1S/C10H6F4N2OS/c11-5-4(3-16-2-1-15-10(16)18)6(12)8(14)9(17)7(5)13/h1-2,17H,3H2,(H,15,18)
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n/an/a 6.17E+4n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
BDBM50406071
PNG
(CHEMBL63619)
Show SMILES COc1ccc(Cn2cc[nH]c2=S)cc1C
Show InChI InChI=1S/C12H14N2OS/c1-9-7-10(3-4-11(9)15-2)8-14-6-5-13-12(14)16/h3-7H,8H2,1-2H3,(H,13,16)
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n/an/a 6.92E+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)

More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
BDBM50406071
PNG
(CHEMBL63619)
Show SMILES COc1ccc(Cn2cc[nH]c2=S)cc1C
Show InChI InChI=1S/C12H14N2OS/c1-9-7-10(3-4-11(9)15-2)8-14-6-5-13-12(14)16/h3-7H,8H2,1-2H3,(H,13,16)
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n/an/a 6.92E+4n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Homo sapiens)
BDBM50406081
PNG
(CHEMBL294549)
Show SMILES COc1ccccc1Cn1cc[nH]c1=S
Show InChI InChI=1S/C11H12N2OS/c1-14-10-5-3-2-4-9(10)8-13-7-6-12-11(13)15/h2-7H,8H2,1H3,(H,12,15)
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n/an/a 7.41E+4n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


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


Citation and Details
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Ligand-Target Pair
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