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PubMed code 2299645

Compile data set for download or QSAR
Found 27 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)
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)
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)
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)
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



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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
BDBM50014975
PNG
(4-Benzyl-2,4-dihydro-[1,2,4]triazole-3-thione | CH...)
Show SMILES S=c1[nH]ncn1Cc1ccccc1
Show InChI InChI=1S/C9H9N3S/c13-9-11-10-7-12(9)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,11,13)
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n/an/a 2.40E+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



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)
BDBM50014961
PNG
(1-Benzyl-1H-imidazole-2-carboxylic acid | CHEMBL35...)
Show SMILES OC(=O)c1nccn1Cc1ccccc1
Show InChI InChI=1S/C11H10N2O2/c14-11(15)10-12-6-7-13(10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,14,15)
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n/an/a 5.70E+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)
BDBM80308
PNG
(1-Benzyl-1,3-dihydro-benzoimidazole-2-thione | 1-B...)
Show SMILES S=c1[nH]c2ccccc2n1Cc1ccccc1
Show InChI InChI=1S/C14H12N2S/c17-14-15-12-8-4-5-9-13(12)16(14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,17)
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n/an/a 6.10E+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)
BDBM50014972
PNG
(2-Benzyl-2,4-dihydro-[1,2,4]triazole-3-thione | CH...)
Show SMILES S=c1[nH]cnn1Cc1ccccc1
Show InChI InChI=1S/C9H9N3S/c13-9-10-7-11-12(9)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,10,11,13)
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n/an/a 7.50E+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)
BDBM50014966
PNG
(4-[3-(2-Methylsulfanyl-imidazol-1-yl)-propyl]-phen...)
Show SMILES CSc1nccn1CCCc1ccc(O)cc1
Show InChI InChI=1S/C13H16N2OS/c1-17-13-14-8-10-15(13)9-2-3-11-4-6-12(16)7-5-11/h4-8,10,16H,2-3,9H2,1H3
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n/an/a 7.90E+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)
BDBM50014964
PNG
(1-(4-Hydroxy-benzyl)-1H-imidazole-2-carboxylic aci...)
Show SMILES OC(=O)c1nccn1Cc1ccc(O)cc1
Show InChI InChI=1S/C11H10N2O3/c14-9-3-1-8(2-4-9)7-13-6-5-12-10(13)11(15)16/h1-6,14H,7H2,(H,15,16)
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n/an/a 1.12E+5n/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)
BDBM50014974
PNG
(4-(2-Aminomethyl-imidazol-1-ylmethyl)-phenol | CHE...)
Show SMILES NCc1nccn1Cc1ccc(O)cc1
Show InChI InChI=1S/C11H13N3O/c12-7-11-13-5-6-14(11)8-9-1-3-10(15)4-2-9/h1-6,15H,7-8,12H2
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n/an/a 1.65E+5n/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)
BDBM50014985
PNG
(C-(1-Benzyl-1H-imidazol-2-yl)-methylamine | CHEMBL...)
Show SMILES NCc1nccn1Cc1ccccc1
Show InChI InChI=1S/C11H13N3/c12-8-11-13-6-7-14(11)9-10-4-2-1-3-5-10/h1-7H,8-9,12H2
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n/an/a 2.40E+5n/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
* indicates data uncertainty>20%