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Compile Data Set for Download or QSAR

Found 93 hits of ic50 for UniProtKB: P15101   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dopamine beta-hydroxylase


(Bos taurus)
BDBM50014970
PNG
(4-(3,5-Difluoro-4-hydroxy-benzyl)-2,4-dihydro-[1,2...)
Show SMILES Oc1c(F)cc(Cn2cn[nH]c2=S)cc1F
Show InChI InChI=1S/C9H7F2N3OS/c10-6-1-5(2-7(11)8(6)15)3-14-4-12-13-9(14)16/h1-2,4,15H,3H2,(H,13,16)
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n/an/a 35n/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)
BDBM50548688
PNG
(CHEMBL4764135)
Show SMILES OC(=O)c1ccc(Cc2ccc(O)cc2)cn1
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n/an/a 39n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine adrenal medulla DBH incubated for 25 mins


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115820
BindingDB Entry DOI: 10.7270/Q2WW7N96
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Bos taurus)
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)
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n/an/a 50n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine adrenal medulla DBH incubated for 25 mins


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115820
BindingDB Entry DOI: 10.7270/Q2WW7N96
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Bos taurus)
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 74n/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)
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 74n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (0.060-0.0877).


J Med Chem 30: 486-94 (1987)


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


(Bos taurus)
BDBM50015622
PNG
(1-(2-Thiophen-2-yl-ethyl)-1,3-dihydro-imidazole-2-...)
Show SMILES S=c1[nH]ccn1CCc1cccs1
Show InChI InChI=1S/C9H10N2S2/c12-9-10-4-6-11(9)5-3-8-2-1-7-13-8/h1-2,4,6-7H,3,5H2,(H,10,12)
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n/an/a 114n/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


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


J Med Chem 33: 1866-73 (1990)


BindingDB Entry DOI: 10.7270/Q2W094XV
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Bos taurus)
BDBM50015620
PNG
(1-(2-Thiophen-3-yl-ethyl)-1,3-dihydro-imidazole-2-...)
Show SMILES S=c1[nH]ccn1CCc1ccsc1
Show InChI InChI=1S/C9H10N2S2/c12-9-10-3-5-11(9)4-1-8-2-6-13-7-8/h2-3,5-7H,1,4H2,(H,10,12)
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n/an/a 130n/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


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


J Med Chem 33: 1866-73 (1990)


BindingDB Entry DOI: 10.7270/Q2W094XV
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Bos taurus)
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 210n/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


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


J Med Chem 33: 1866-73 (1990)


BindingDB Entry DOI: 10.7270/Q2W094XV
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Bos taurus)
BDBM50015617
PNG
(1-[2-(5-Methyl-thiophen-2-yl)-ethyl]-1,3-dihydro-i...)
Show SMILES Cc1ccc(CCn2cc[nH]c2=S)s1
Show InChI InChI=1S/C10H12N2S2/c1-8-2-3-9(14-8)4-6-12-7-5-11-10(12)13/h2-3,5,7H,4,6H2,1H3,(H,11,13)
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n/an/a 491n/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


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


J Med Chem 33: 1866-73 (1990)


BindingDB Entry DOI: 10.7270/Q2W094XV
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Bos taurus)
BDBM50014963
PNG
(1-(3,5-Difluoro-4-hydroxy-benzyl)-1,3-dihydro-benz...)
Show SMILES Oc1c(F)cc(Cn2c3ccccc3[nH]c2=S)cc1F
Show InChI InChI=1S/C14H10F2N2OS/c15-9-5-8(6-10(16)13(9)19)7-18-12-4-2-1-3-11(12)17-14(18)20/h1-6,19H,7H2,(H,17,20)
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n/an/a 660n/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)
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 680n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (0.42-1.1).


J Med Chem 30: 486-94 (1987)


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


(Bos taurus)
BDBM50015621
PNG
(1-(5-Chloro-thiophen-2-ylmethyl)-1,3-dihydro-imida...)
Show SMILES Clc1ccc(Cn2cc[nH]c2=S)s1
Show InChI InChI=1S/C8H7ClN2S2/c9-7-2-1-6(13-7)5-11-4-3-10-8(11)12/h1-4H,5H2,(H,10,12)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


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


J Med Chem 33: 1866-73 (1990)


BindingDB Entry DOI: 10.7270/Q2W094XV
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Bos taurus)
BDBM50014984
PNG
(4-(3,5-Difluoro-benzyl)-2,4-dihydro-[1,2,4]triazol...)
Show SMILES Fc1cc(F)cc(Cn2cn[nH]c2=S)c1
Show InChI InChI=1S/C9H7F2N3S/c10-7-1-6(2-8(11)3-7)4-14-5-12-13-9(14)15/h1-3,5H,4H2,(H,13,15)
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n/an/a 1.00E+3n/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)
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
Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (1.0-1.9)


J Med Chem 30: 486-94 (1987)


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


(Bos taurus)
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



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)
BDBM50014971
PNG
(1-(3,5-Difluoro-benzyl)-imidazolidine-2-thione | C...)
Show SMILES Fc1cc(F)cc(CN2CCNC2=S)c1
Show InChI InChI=1S/C10H10F2N2S/c11-8-3-7(4-9(12)5-8)6-14-2-1-13-10(14)15/h3-5H,1-2,6H2,(H,13,15)
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n/an/a 1.40E+3n/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)
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 1.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (0.9-2.2)


J Med Chem 30: 486-94 (1987)


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


(Bos taurus)
BDBM50014967
PNG
(1-(3,5-Difluoro-benzyl)-1H-tetrazole-5-thiol | CHE...)
Show SMILES Fc1cc(F)cc(Cn2nn[nH]c2=S)c1
Show InChI InChI=1S/C8H6F2N4S/c9-6-1-5(2-7(10)3-6)4-14-8(15)11-12-13-14/h1-3H,4H2,(H,11,13,15)
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n/an/a 1.54E+3n/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)
BDBM50015619
PNG
(1-(3-Thiophen-2-yl-propyl)-1,3-dihydro-imidazole-2...)
Show SMILES S=c1[nH]ccn1CCCc1cccs1
Show InChI InChI=1S/C10H12N2S2/c13-10-11-5-7-12(10)6-1-3-9-4-2-8-14-9/h2,4-5,7-8H,1,3,6H2,(H,11,13)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


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


J Med Chem 33: 1866-73 (1990)


BindingDB Entry DOI: 10.7270/Q2W094XV
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Bos taurus)
BDBM50014979
PNG
(4-(3-Fluoro-benzyl)-2,4-dihydro-[1,2,4]triazole-3-...)
Show SMILES Fc1cccc(Cn2cn[nH]c2=S)c1
Show InChI InChI=1S/C9H8FN3S/c10-8-3-1-2-7(4-8)5-13-6-11-12-9(13)14/h1-4,6H,5H2,(H,12,14)
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n/an/a 1.90E+3n/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)
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



TBA

Curated by ChEMBL


Assay Description
Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (1.7-2.4)


J Med Chem 30: 486-94 (1987)


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


(Bos taurus)
BDBM50025798
PNG
(1-[3-(3,5-Dichloro-phenyl)-propyl]-1,3-dihydro-imi...)
Show SMILES Clc1cc(Cl)cc(CCCn2cc[nH]c2=S)c1
Show InChI InChI=1S/C12H12Cl2N2S/c13-10-6-9(7-11(14)8-10)2-1-4-16-5-3-15-12(16)17/h3,5-8H,1-2,4H2,(H,15,17)
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n/an/a 2.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Percent inhibition against bovine Dopamine beta hydroxylase at 10E-4 M concentration of the compound; Range is between (1.8-2.6).


J Med Chem 30: 486-94 (1987)


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


(Bos taurus)
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 2.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (1.1-3.8).


J Med Chem 30: 486-94 (1987)


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


(Bos taurus)
BDBM50014962
PNG
(1-[3-(4-Hydroxy-phenyl)-propyl]-1,3-dihydro-imidaz...)
Show SMILES Oc1ccc(CCCn2cc[nH]c2=S)cc1
Show InChI InChI=1S/C12H14N2OS/c15-11-5-3-10(4-6-11)2-1-8-14-9-7-13-12(14)16/h3-7,9,15H,1-2,8H2,(H,13,16)
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n/an/a 2.20E+3n/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)
BDBM50014962
PNG
(1-[3-(4-Hydroxy-phenyl)-propyl]-1,3-dihydro-imidaz...)
Show SMILES Oc1ccc(CCCn2cc[nH]c2=S)cc1
Show InChI InChI=1S/C12H14N2OS/c15-11-5-3-10(4-6-11)2-1-8-14-9-7-13-12(14)16/h3-7,9,15H,1-2,8H2,(H,13,16)
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n/an/a 2.20E+3n/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)
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



TBA

Curated by ChEMBL


Assay Description
Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (1.9-3.0)


J Med Chem 30: 486-94 (1987)


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


(Bos taurus)
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



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)
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.


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)
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
Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (1.3-4.6)


J Med Chem 30: 486-94 (1987)


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


(Bos taurus)
BDBM50014976
PNG
(1-(3,5-Difluoro-benzyl)-1H-pyrimidine-2-thione | C...)
Show SMILES Fc1cc(F)cc(Cn2cccnc2=S)c1
Show InChI InChI=1S/C11H8F2N2S/c12-9-4-8(5-10(13)6-9)7-15-3-1-2-14-11(15)16/h1-6H,7H2
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n/an/a 2.80E+3n/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)
BDBM50015624
PNG
(1-(4-Thiophen-2-yl-butyl)-1,3-dihydro-imidazole-2-...)
Show SMILES S=c1[nH]ccn1CCCCc1cccs1
Show InChI InChI=1S/C11H14N2S2/c14-11-12-6-8-13(11)7-2-1-4-10-5-3-9-15-10/h3,5-6,8-9H,1-2,4,7H2,(H,12,14)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


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


J Med Chem 33: 1866-73 (1990)


BindingDB Entry DOI: 10.7270/Q2W094XV
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Bos taurus)
BDBM50014982
PNG
(1-(3-Fluoro-benzyl)-imidazolidine-2-thione | CHEMB...)
Show SMILES Fc1cccc(CN2CCNC2=S)c1
Show InChI InChI=1S/C10H11FN2S/c11-9-3-1-2-8(6-9)7-13-5-4-12-10(13)14/h1-3,6H,4-5,7H2,(H,12,14)
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n/an/a 3.70E+3n/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)
BDBM50015627
PNG
(1-(5-Fluoro-thiophen-2-ylmethyl)-1,3-dihydro-imida...)
Show SMILES Fc1ccc(Cn2cc[nH]c2=S)s1
Show InChI InChI=1S/C8H7FN2S2/c9-7-2-1-6(13-7)5-11-4-3-10-8(11)12/h1-4H,5H2,(H,10,12)
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n/an/a 4.60E+3n/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


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


J Med Chem 33: 1866-73 (1990)


BindingDB Entry DOI: 10.7270/Q2W094XV
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Bos taurus)
BDBM50025792
PNG
(1-[3-(3,5-Difluoro-phenyl)-propyl]-1,3-dihydro-imi...)
Show SMILES Fc1cc(F)cc(CCCn2cc[nH]c2=S)c1
Show InChI InChI=1S/C12H12F2N2S/c13-10-6-9(7-11(14)8-10)2-1-4-16-5-3-15-12(16)17/h3,5-8H,1-2,4H2,(H,15,17)
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n/an/a 4.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Percent inhibition against bovine Dopamine beta hydroxylase at 10E-4 M concentration of the compound; Range is between (4.2-5.3).


J Med Chem 30: 486-94 (1987)


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


(Bos taurus)
BDBM50015626
PNG
(1-Thiophen-2-ylmethyl-1,3-dihydro-imidazole-2-thio...)
Show SMILES S=c1[nH]ccn1Cc1cccs1
Show InChI InChI=1S/C8H8N2S2/c11-8-9-3-4-10(8)6-7-2-1-5-12-7/h1-5H,6H2,(H,9,11)
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n/an/a 4.80E+3n/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


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


J Med Chem 33: 1866-73 (1990)


BindingDB Entry DOI: 10.7270/Q2W094XV
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Bos taurus)
BDBM50015625
PNG
(1-Thiophen-3-ylmethyl-1,3-dihydro-imidazole-2-thio...)
Show SMILES S=c1[nH]ccn1Cc1ccsc1
Show InChI InChI=1S/C8H8N2S2/c11-8-9-2-3-10(8)5-7-1-4-12-6-7/h1-4,6H,5H2,(H,9,11)
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n/an/a 5.30E+3n/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


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


J Med Chem 33: 1866-73 (1990)


BindingDB Entry DOI: 10.7270/Q2W094XV
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Bos taurus)
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 5.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (4.9-6.5)


J Med Chem 30: 486-94 (1987)


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


(Bos taurus)
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 5.60E+3n/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)
BDBM50015623
PNG
(1-(5-Methyl-thiophen-2-ylmethyl)-1,3-dihydro-imida...)
Show SMILES Cc1ccc(Cn2cc[nH]c2=S)s1
Show InChI InChI=1S/C9H10N2S2/c1-7-2-3-8(13-7)6-11-5-4-10-9(11)12/h2-5H,6H2,1H3,(H,10,12)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


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


J Med Chem 33: 1866-73 (1990)


BindingDB Entry DOI: 10.7270/Q2W094XV
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Bos taurus)
BDBM50014959
PNG
(1-(3,5-Difluoro-benzyl)-1,3-dihydro-benzoimidazole...)
Show SMILES Fc1cc(F)cc(Cn2c3ccccc3[nH]c2=S)c1
Show InChI InChI=1S/C14H10F2N2S/c15-10-5-9(6-11(16)7-10)8-18-13-4-2-1-3-12(13)17-14(18)19/h1-7H,8H2,(H,17,19)
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n/an/a 6.20E+3n/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)
BDBM50014973
PNG
(2-(3,5-Difluoro-benzyl)-2,4-dihydro-[1,2,4]triazol...)
Show SMILES Fc1cc(F)cc(Cn2nc[nH]c2=S)c1
Show InChI InChI=1S/C9H7F2N3S/c10-7-1-6(2-8(11)3-7)4-14-9(15)12-5-13-14/h1-3,5H,4H2,(H,12,13,15)
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n/an/a 6.20E+3n/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)
BDBM50015618
PNG
(1-Furan-2-ylmethyl-1,3-dihydro-imidazole-2-thione ...)
Show SMILES S=c1[nH]ccn1Cc1ccco1
Show InChI InChI=1S/C8H8N2OS/c12-8-9-3-4-10(8)6-7-2-1-5-11-7/h1-5H,6H2,(H,9,12)
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n/an/a 6.30E+3n/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


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


J Med Chem 33: 1866-73 (1990)


BindingDB Entry DOI: 10.7270/Q2W094XV
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Bos taurus)
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



TBA

Curated by ChEMBL


Assay Description
Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between(10-14)


J Med Chem 30: 486-94 (1987)


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


(Bos taurus)
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



TBA

Curated by ChEMBL


Assay Description
Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (10-14).


J Med Chem 30: 486-94 (1987)


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


(Bos taurus)
BDBM50014980
PNG
(3-(3,5-Difluoro-benzyl)-1H-pyridine-2-thione | CHE...)
Show SMILES Fc1cc(F)cc(Cc2ccc[nH]c2=S)c1
Show InChI InChI=1S/C12H9F2NS/c13-10-5-8(6-11(14)7-10)4-9-2-1-3-15-12(9)16/h1-3,5-7H,4H2,(H,15,16)
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n/an/a 1.34E+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)
BDBM50014965
PNG
(2-(3-Fluoro-benzyl)-2,4-dihydro-[1,2,4]triazole-3-...)
Show SMILES Fc1cccc(Cn2nc[nH]c2=S)c1
Show InChI InChI=1S/C9H8FN3S/c10-8-3-1-2-7(4-8)5-13-9(14)11-6-12-13/h1-4,6H,5H2,(H,11,12,14)
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n/an/a 1.50E+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)
BDBM50025498
PNG
(1-(3-Phenyl-propyl)-1,3-dihydro-imidazole-2-thione...)
Show SMILES S=c1[nH]ccn1CCCc1ccccc1
Show InChI InChI=1S/C12H14N2S/c15-12-13-8-10-14(12)9-4-7-11-5-2-1-3-6-11/h1-3,5-6,8,10H,4,7,9H2,(H,13,15)
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n/an/a 1.60E+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)
BDBM50014981
PNG
(1-Benzyl-1H-tetrazole-5-thiol | CHEMBL349152)
Show SMILES S=c1[nH]nnn1Cc1ccccc1
Show InChI InChI=1S/C8H8N4S/c13-8-9-10-11-12(8)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,11,13)
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n/an/a 1.60E+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)
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



TBA

Curated by ChEMBL


Assay Description
Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (7-38).


J Med Chem 30: 486-94 (1987)


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


(Bos taurus)
BDBM50025499
PNG
(1-(3-Phenyl-butyl)-1,3-dihydro-imidazole-2-thione ...)
Show SMILES CC(CCn1cc[nH]c1=S)c1ccccc1
Show InChI InChI=1S/C13H16N2S/c1-11(12-5-3-2-4-6-12)7-9-15-10-8-14-13(15)16/h2-6,8,10-11H,7,9H2,1H3,(H,14,16)
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n/an/a 1.80E+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
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