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PubMed code 3783606

Compile data set for download or QSAR
Found 23 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


(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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 55n/an/an/an/an/an/a4.5n/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Dopamine beta hydroxylase at pH 4.5

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)		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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 149n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Dopamine beta hydroxylase at pH 4.5

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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 344n/an/an/an/an/an/a6.6n/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Dopamine beta hydroxylase at pH 6.6

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)		BDBM50241361
PNG
(CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...)
Show SMILES Cn1cc[nH]c1=S
Show InChI InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)
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 4.50E+4n/an/an/an/an/an/a4.5n/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Dopamine beta hydroxylase at pH 6.6

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)		BDBM50241361
PNG
(CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...)
Show SMILES Cn1cc[nH]c1=S
Show InChI InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)
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 7.16E+5n/an/an/an/an/an/a6.6n/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Dopamine beta hydroxylase at pH 4.5

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)		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)		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)		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)		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
Dopamine beta-hydroxylase


(Bos taurus)		BDBM50025496
PNG
(1-[2-(4-Hydroxy-phenyl)-ethyl]-1,3-dihydro-imidazo...)
Show SMILES Oc1ccc(CCn2cc[nH]c2=S)cc1
Show InChI InChI=1S/C11H12N2OS/c14-10-3-1-9(2-4-10)5-7-13-8-6-12-11(13)15/h1-4,6,8,14H,5,7H2,(H,12,15)
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n/an/a 2.30E+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)		BDBM50025495
PNG
(1-(2-Methyl-3-phenyl-propyl)-1,3-dihydro-imidazole...)
Show SMILES CC(Cc1ccccc1)Cn1cc[nH]c1=S
Show InChI InChI=1S/C13H16N2S/c1-11(9-12-5-3-2-4-6-12)10-15-8-7-14-13(15)16/h2-8,11H,9-10H2,1H3,(H,14,16)
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n/an/a 2.90E+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



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)		BDBM50025488
PNG
(1-[2-(4-Methoxy-phenyl)-ethyl]-1,3-dihydro-imidazo...)
Show SMILES COc1ccc(CCn2cc[nH]c2=S)cc1
Show InChI InChI=1S/C12H14N2OS/c1-15-11-4-2-10(3-5-11)6-8-14-9-7-13-12(14)16/h2-5,7,9H,6,8H2,1H3,(H,13,16)
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n/an/a 6.80E+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
Dopamine beta-hydroxylase


(Bos taurus)		BDBM50025490
PNG
(1-(2-Phenoxy-ethyl)-1,3-dihydro-imidazole-2-thione...)
Show SMILES S=c1[nH]ccn1CCOc1ccccc1
Show InChI InChI=1S/C11H12N2OS/c15-11-12-6-7-13(11)8-9-14-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,12,15)
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n/an/a 8.70E+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)		BDBM50025494
PNG
(1-(2-Phenylsulfanyl-ethyl)-1,3-dihydro-imidazole-2...)
Show SMILES S=c1[nH]ccn1CCSc1ccccc1
Show InChI InChI=1S/C11H12N2S2/c14-11-12-6-7-13(11)8-9-15-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,12,14)
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n/an/a 1.03E+5n/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)		BDBM50025491
PNG
(1-[5-(4-Methoxy-phenyl)-pentyl]-1,3-dihydro-imidaz...)
Show SMILES COc1ccc(CCCCCn2cc[nH]c2=S)cc1
Show InChI InChI=1S/C15H20N2OS/c1-18-14-8-6-13(7-9-14)5-3-2-4-11-17-12-10-16-15(17)19/h6-10,12H,2-5,11H2,1H3,(H,16,19)
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n/an/a 1.09E+5n/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)		BDBM50025497
PNG
(1-Phenyl-1,3-dihydro-imidazole-2-thione | CHEMBL30...)
Show SMILES S=c1[nH]ccn1-c1ccccc1
Show InChI InChI=1S/C9H8N2S/c12-9-10-6-7-11(9)8-4-2-1-3-5-8/h1-7H,(H,10,12)
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n/an/a 1.10E+5n/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)		BDBM50025493
PNG
(1-[4-(4-Methoxy-phenyl)-butyl]-1,3-dihydro-imidazo...)
Show SMILES COc1ccc(CCCCn2cc[nH]c2=S)cc1
Show InChI InChI=1S/C14H18N2OS/c1-17-13-7-5-12(6-8-13)4-2-3-10-16-11-9-15-14(16)18/h5-9,11H,2-4,10H2,1H3,(H,15,18)
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n/an/a 1.52E+5n/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)		BDBM50025489
PNG
(1-[3-(4-Methoxy-phenyl)-propyl]-1,3-dihydro-imidaz...)
Show SMILES COc1ccc(CCCn2cc[nH]c2=S)cc1
Show InChI InChI=1S/C13H16N2OS/c1-16-12-6-4-11(5-7-12)3-2-9-15-10-8-14-13(15)17/h4-8,10H,2-3,9H2,1H3,(H,14,17)
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n/an/a 1.80E+5n/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)		BDBM50025486
PNG
(1-(4-Methoxy-benzyl)-1,3-dihydro-imidazole-2-thion...)
Show SMILES COc1ccc(Cn2cc[nH]c2=S)cc1
Show InChI InChI=1S/C11H12N2OS/c1-14-10-4-2-9(3-5-10)8-13-7-6-12-11(13)15/h2-7H,8H2,1H3,(H,12,15)
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n/an/a 2.02E+5n/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)		BDBM50025485
PNG
(1-(1-Methyl-3-phenyl-propyl)-1,3-dihydro-imidazole...)
Show SMILES CC(CCc1ccccc1)n1cc[nH]c1=S
Show InChI InChI=1S/C13H16N2S/c1-11(15-10-9-14-13(15)16)7-8-12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3,(H,14,16)
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n/an/a 3.25E+5n/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)		BDBM50025492
PNG
(1-(4-Hydroxy-phenyl)-1,3-dihydro-imidazole-2-thion...)
Show SMILES Oc1ccc(cc1)-n1cc[nH]c1=S
Show InChI InChI=1S/C9H8N2OS/c12-8-3-1-7(2-4-8)11-6-5-10-9(11)13/h1-6,12H,(H,10,13)
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n/an/a 3.70E+5n/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)		BDBM50241361
PNG
(CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...)
Show SMILES Cn1cc[nH]c1=S
Show InChI InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)
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n/an/a 7.54E+5n/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
* indicates data uncertainty>20%