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Compile Data Set for Download or QSAR

Found 133 hits Enz. Inhib. hit(s) with Target = 'Dopamine beta-hydroxylase' AND taxid = 9913   
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


(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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5.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine beta hydroxylase using tyramine substrate at pH 4.5 in the absence of fumarate


J Med Chem 29: 887-9 (1986)

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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41n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine beta hydroxylase using tyramine substrate at pH 4.5 in the absence of fumarate


J Med Chem 29: 887-9 (1986)

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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54.9n/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)

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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55n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine beta hydroxylase using tyramine substrate at pH 4.5 in the absence of fumarate


J Med Chem 29: 887-9 (1986)

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
Binding affinity towards Dopamine beta hydroxylase using tyramine substrate at pH 4.5 in the absence of fumarate


J Med Chem 29: 887-9 (1986)

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)

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/an/an/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)

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


(Bos taurus)
BDBM50017831
PNG
(2-[1,3]Dithiolan-2-ylidene-ethylamine | CHEMBL1635...)
Show SMILES NCC=C1SCCS1
Show InChI InChI=1S/C5H9NS2/c6-2-1-5-7-3-4-8-5/h1H,2-4,6H2
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5.00E+3n/an/an/an/an/an/an/an/a



Pennsylvania State University

Curated by ChEMBL


Assay Description
Compound was evaluated for the ability to bind to dopamine beta-hydroxylase of bovine


J Med Chem 32: 735-7 (1989)

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


(Bos taurus)
BDBM50026182
PNG
(3-Phenyl-prop-2-ynylamine | CHEMBL110611 | US91619...)
Show SMILES NCC#Cc1ccccc1
Show InChI InChI=1S/C9H9N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,8,10H2
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2.10E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was determined for the kinetic constant against Dopamine beta hydroxylase purified from beef adrenals, inhibitory constant (Ki)


J Med Chem 29: 315-7 (1986)

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


(Bos taurus)
BDBM50023370
PNG
(2-Thiophen-2-yl-allylamine | CHEMBL110604)
Show SMILES NCC(=C)c1cccs1
Show InChI InChI=1S/C7H9NS/c1-6(5-8)7-3-2-4-9-7/h2-4H,1,5,8H2
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3.50E+4n/an/an/an/an/an/an/an/a



Smith Kline & French Laboratories

Curated by ChEMBL


Assay Description
KI value was determined from plots of 1/kinact(observed) vs 1/[inhibitor]


J Med Chem 31: 704-6 (1988)

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


(Bos taurus)
BDBM50023370
PNG
(2-Thiophen-2-yl-allylamine | CHEMBL110604)
Show SMILES NCC(=C)c1cccs1
Show InChI InChI=1S/C7H9NS/c1-6(5-8)7-3-2-4-9-7/h2-4H,1,5,8H2
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3.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was determined for the kinetic constant against Dopamine beta hydroxylase purified from beef adrenals, inhibitory constant (Ki)


J Med Chem 29: 315-7 (1986)

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


(Bos taurus)
BDBM50017830
PNG
(Benzofuran-6-ol | CHEMBL351630)
Show SMILES Oc1ccc2ccoc2c1
Show InChI InChI=1S/C8H6O2/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,9H
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4.00E+4n/an/an/an/an/an/an/an/a



Pennsylvania State University

Curated by ChEMBL


Assay Description
Compound was evaluated for the ability to bind to dopamine beta-hydroxylase of bovine


J Med Chem 32: 735-7 (1989)

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/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)

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


(Bos taurus)
BDBM50017834
PNG
(4-(1-Aminomethyl-prop-2-ynyl)-phenol | CHEMBL16312...)
Show SMILES NCC(C#C)c1ccc(O)cc1
Show InChI InChI=1S/C10H11NO/c1-2-8(7-11)9-3-5-10(12)6-4-9/h1,3-6,8,12H,7,11H2
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5.70E+4n/an/an/an/an/an/an/an/a



Smith Kline & French Laboratories

Curated by ChEMBL


Assay Description
KI value was determined from plots of 1/kinact(observed) vs 1/[inhibitor]


J Med Chem 31: 704-6 (1988)

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


(Bos taurus)
BDBM50017834
PNG
(4-(1-Aminomethyl-prop-2-ynyl)-phenol | CHEMBL16312...)
Show SMILES NCC(C#C)c1ccc(O)cc1
Show InChI InChI=1S/C10H11NO/c1-2-8(7-11)9-3-5-10(12)6-4-9/h1,3-6,8,12H,7,11H2
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5.70E+4n/an/an/an/an/an/an/an/a



Smith Kline & French Laboratories

Curated by ChEMBL


Assay Description
KI value was determined from plots of 1/kinact(observed) vs 1/[inhibitor]


J Med Chem 31: 704-6 (1988)

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


(Bos taurus)
BDBM50017834
PNG
(4-(1-Aminomethyl-prop-2-ynyl)-phenol | CHEMBL16312...)
Show SMILES NCC(C#C)c1ccc(O)cc1
Show InChI InChI=1S/C10H11NO/c1-2-8(7-11)9-3-5-10(12)6-4-9/h1,3-6,8,12H,7,11H2
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5.70E+4n/an/an/an/an/an/an/an/a



Pennsylvania State University

Curated by ChEMBL


Assay Description
Compound was evaluated for the ability to bind to dopamine beta-hydroxylase of bovine


J Med Chem 32: 735-7 (1989)

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


(Bos taurus)
BDBM50286807
PNG
(1,1a,6,6a-Tetrahydro-cyclopropa[a]indene-3,4-diol ...)
Show SMILES Oc1cc2CC3CC3c2cc1O
Show InChI InChI=1S/C10H10O2/c11-9-3-6-1-5-2-7(5)8(6)4-10(9)12/h3-5,7,11-12H,1-2H2
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1.09E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Kinetic constant for inhibition (KI) of Dopamine beta-Hydroxylase(DBH) from bovine adrenal medulla


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


(Bos taurus)
BDBM50286815
PNG
(1,1a,6,6a-Tetrahydro-cyclopropa[a]inden-3-ol | CHE...)
Show SMILES Oc1ccc2CC3CC3c2c1
Show InChI InChI=1S/C10H10O/c11-8-2-1-6-3-7-4-9(7)10(6)5-8/h1-2,5,7,9,11H,3-4H2
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1.50E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Kinetic constant for inhibition (KI) of Dopamine beta-Hydroxylase(DBH) from bovine adrenal medulla


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


(Bos taurus)
BDBM50286808
PNG
(1,1a,7,7a-Tetrahydro-3,5-dioxa-cyclopropa[a]-s-ind...)
Show SMILES C1C2Cc3cc4OCOc4cc3C12
Show InChI InChI=1S/C11H10O2/c1-6-2-8(6)9-4-11-10(3-7(1)9)12-5-13-11/h3-4,6,8H,1-2,5H2
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1.60E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Kinetic constant for inhibition (KI) of Dopamine beta-Hydroxylase(DBH) from bovine adrenal medulla


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


(Bos taurus)
BDBM50026184
PNG
(2-Furan-3-yl-allylamine | CHEMBL108927)
Show SMILES NCC(=C)c1ccoc1
Show InChI InChI=1S/C7H9NO/c1-6(4-8)7-2-3-9-5-7/h2-3,5H,1,4,8H2
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2.30E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was determined for the kinetic constant against Dopamine beta hydroxylase purified from beef adrenals, inhibitory constant (Ki)


J Med Chem 29: 315-7 (1986)

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


(Bos taurus)
BDBM50286814
PNG
(1-Cyclopropylmethyl-4-methoxy-benzene | CHEMBL1766...)
Show SMILES COc1ccc(CC2CC2)cc1
Show InChI InChI=1S/C11H14O/c1-12-11-6-4-10(5-7-11)8-9-2-3-9/h4-7,9H,2-3,8H2,1H3
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2.40E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Kinetic constant for inhibition (KI) of Dopamine beta-Hydroxylase(DBH) from bovine adrenal medulla


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


(Bos taurus)
BDBM50026189
PNG
(1-Methyl-2-thiophen-2-yl-allylamine | CHEMBL325080)
Show SMILES CC(N)C(=C)c1cccs1
Show InChI InChI=1S/C8H11NS/c1-6(7(2)9)8-4-3-5-10-8/h3-5,7H,1,9H2,2H3
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3.60E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was determined for the kinetic constant against Dopamine beta hydroxylase purified from beef adrenals, inhibitory constant (Ki)


J Med Chem 29: 315-7 (1986)

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


(Bos taurus)
BDBM50286813
PNG
(3-Methoxy-1,1a,6,6a-tetrahydro-1-aza-cyclopropa[a]...)
Show SMILES COc1ccc2CC3NC3c2c1
Show InChI InChI=1S/C10H11NO/c1-12-7-3-2-6-4-9-10(11-9)8(6)5-7/h2-3,5,9-11H,4H2,1H3
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4.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Kinetic constant for inhibition (KI) of Dopamine beta-Hydroxylase(DBH) from bovine adrenal medulla


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


(Bos taurus)
BDBM50026187
PNG
(2-Furan-2-yl-allylamine | CHEMBL106238)
Show SMILES NCC(=C)c1ccco1
Show InChI InChI=1S/C7H9NO/c1-6(5-8)7-3-2-4-9-7/h2-4H,1,5,8H2
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4.10E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was determined for the kinetic constant against Dopamine beta hydroxylase purified from beef adrenals, inhibitory constant (Ki)


J Med Chem 29: 315-7 (1986)

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


(Bos taurus)
BDBM50017827
PNG
(4-(1-Aminomethyl-vinyl)-phenol | CHEMBL330118)
Show SMILES NCC(=C)c1ccc(O)cc1
Show InChI InChI=1S/C9H11NO/c1-7(6-10)8-2-4-9(11)5-3-8/h2-5,11H,1,6,10H2
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5.20E+5n/an/an/an/an/an/an/an/a



Smith Kline & French Laboratories

Curated by ChEMBL


Assay Description
KI value was determined from plots of 1/kinact(observed) vs 1/[inhibitor]; Apparent values at pH 5.0, 0.24 mM O2


J Med Chem 31: 704-6 (1988)

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


(Bos taurus)
BDBM50017827
PNG
(4-(1-Aminomethyl-vinyl)-phenol | CHEMBL330118)
Show SMILES NCC(=C)c1ccc(O)cc1
Show InChI InChI=1S/C9H11NO/c1-7(6-10)8-2-4-9(11)5-3-8/h2-5,11H,1,6,10H2
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5.20E+5n/an/an/an/an/an/an/an/a



Pennsylvania State University

Curated by ChEMBL


Assay Description
Compound was evaluated for the ability to bind to dopamine beta-hydroxylase of bovine


J Med Chem 32: 735-7 (1989)

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


(Bos taurus)
BDBM50026183
PNG
(2-Thiophen-3-yl-allylamine | CHEMBL108921)
Show SMILES NCC(=C)c1ccsc1
Show InChI InChI=1S/C7H9NS/c1-6(4-8)7-2-3-9-5-7/h2-3,5H,1,4,8H2
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5.70E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was determined for the kinetic constant against Dopamine beta hydroxylase purified from beef adrenals, inhibitory constant (Ki)


J Med Chem 29: 315-7 (1986)

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


(Bos taurus)
BDBM50286811
PNG
(3-Methoxy-6,6a-dihydro-1aH-1-oxa-cyclopropa[a]inde...)
Show SMILES COc1ccc2CC3OC3c2c1
Show InChI InChI=1S/C10H10O2/c1-11-7-3-2-6-4-9-10(12-9)8(6)5-7/h2-3,5,9-10H,4H2,1H3
PDB

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6.50E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Kinetic constant for inhibition (KI) of Dopamine beta-Hydroxylase(DBH) from bovine adrenal medulla


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


(Bos taurus)
BDBM50017833
PNG
(4-Hydroxystyrene | 4-Vinylphenol | 4-ethenylphenol...)
Show SMILES Oc1ccc(C=C)cc1
Show InChI InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2
PDB

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7.00E+5n/an/an/an/an/an/an/an/a



Pennsylvania State University

Curated by ChEMBL


Assay Description
Compound was evaluated for the ability to bind to dopamine beta-hydroxylase of bovine


J Med Chem 32: 735-7 (1989)

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)
PDB

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7.16E+5n/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 6.6


J Med Chem 29: 2465-72 (1987)

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


(Bos taurus)
BDBM50286809
PNG
(7,7a-Dihydro-1aH-1,3,5-trioxa-cyclopropa[a]-s-inda...)
Show SMILES C1Oc2cc3CC4OC4c3cc2O1
Show InChI InChI=1S/C10H8O3/c1-5-2-9-10(13-9)6(5)3-8-7(1)11-4-12-8/h1,3,9-10H,2,4H2
PDB

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1.01E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Kinetic constant for inhibition (KI) of Dopamine beta-Hydroxylase(DBH) from bovine adrenal medulla


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


(Bos taurus)
BDBM50286812
PNG
(6,6a-Dihydro-1aH-1-oxa-cyclopropa[a]indene | CHEMB...)
Show SMILES C1C2OC2c2ccccc12
Show InChI InChI=1S/C9H8O/c1-2-4-7-6(3-1)5-8-9(7)10-8/h1-4,8-9H,5H2
PDB

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1.06E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Kinetic constant for inhibition (KI) of Dopamine beta-Hydroxylase(DBH) from bovine adrenal medulla


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


(Bos taurus)
BDBM50286810
PNG
(3-Methoxy-1,1a,6,6a-tetrahydro-cyclopropa[a]indene...)
Show SMILES COc1ccc2CC3CC3c2c1
Show InChI InChI=1S/C11H12O/c1-12-9-3-2-7-4-8-5-10(8)11(7)6-9/h2-3,6,8,10H,4-5H2,1H3
PDB

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1.12E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Kinetic constant for inhibition (KI) of Dopamine beta-Hydroxylase(DBH) from bovine adrenal medulla


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


(Bos taurus)
BDBM50023371
PNG
(4-Cyclopropylmethyl-phenol | CHEMBL162030)
Show SMILES Oc1ccc(CC2CC2)cc1
Show InChI InChI=1S/C10H12O/c11-10-5-3-9(4-6-10)7-8-1-2-8/h3-6,8,11H,1-2,7H2
PDB

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1.20E+6n/an/an/an/an/an/an/an/a



Smith Kline & French Laboratories

Curated by ChEMBL


Assay Description
KI value was determined from plots of 1/kinact(observed) vs 1/[inhibitor]


J Med Chem 31: 704-6 (1988)

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


(Bos taurus)
BDBM50017829
PNG
(Benzofuran-5-ol | CHEMBL349283)
Show SMILES Oc1ccc2occc2c1
Show InChI InChI=1S/C8H6O2/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,9H
PDB

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1.90E+6n/an/an/an/an/an/an/an/a



Pennsylvania State University

Curated by ChEMBL


Assay Description
Compound was evaluated for the ability to bind to dopamine beta-hydroxylase of bovine


J Med Chem 32: 735-7 (1989)

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


(Bos taurus)
BDBM50026186
PNG
(CHEMBL106130 | Methyl-(2-thiophen-2-yl-allyl)-amin...)
Show SMILES CNCC(=C)c1cccs1
Show InChI InChI=1S/C8H11NS/c1-7(6-9-2)8-4-3-5-10-8/h3-5,9H,1,6H2,2H3
PDB

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2.15E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was determined for the kinetic constant against Dopamine beta hydroxylase purified from beef adrenals, inhibitory constant (Ki)


J Med Chem 29: 315-7 (1986)

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


(Bos taurus)
BDBM50286806
PNG
(1,1a,6,6a-Tetrahydro-cyclopropa[a]indene | CHEMBL1...)
Show SMILES C1C2Cc3ccccc3C12
Show InChI InChI=1S/C10H10/c1-2-4-9-7(3-1)5-8-6-10(8)9/h1-4,8,10H,5-6H2
PDB

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3.03E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Kinetic constant for inhibition (KI) of Dopamine beta-Hydroxylase(DBH) from bovine adrenal medulla


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


(Bos taurus)
BDBM50017828
PNG
(Benzofuran-7-ol | CHEMBL351411)
Show SMILES Oc1cccc2ccoc12
Show InChI InChI=1S/C8H6O2/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5,9H
PDB

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3.20E+6n/an/an/an/an/an/an/an/a



Pennsylvania State University

Curated by ChEMBL


Assay Description
Compound was evaluated for the ability to bind to dopamine beta-hydroxylase of bovine


J Med Chem 32: 735-7 (1989)

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


(Bos taurus)
BDBM50023371
PNG
(4-Cyclopropylmethyl-phenol | CHEMBL162030)
Show SMILES Oc1ccc(CC2CC2)cc1
Show InChI InChI=1S/C10H12O/c11-10-5-3-9(4-6-10)7-8-1-2-8/h3-6,8,11H,1-2,7H2
PDB

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1.20E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Kinetic constant for inhibition (KI) of Dopamine beta-Hydroxylase(DBH) from bovine adrenal medulla


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


(Bos taurus)
BDBM50026188
PNG
(2-Phenyl-allylamine | CHEMBL89394)
Show SMILES NCC(=C)c1ccccc1
Show InChI InChI=1S/C9H11N/c1-8(7-10)9-5-3-2-4-6-9/h2-6H,1,7,10H2
PDB

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1.30E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was determined for the kinetic constant against Dopamine beta hydroxylase purified from beef adrenals, inhibitory constant (Ki)


J Med Chem 29: 315-7 (1986)

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


(Bos taurus)
BDBM50026185
PNG
(CHEMBL105998 | Prop-1-ynyl-benzene)
Show SMILES CC#Cc1ccccc1
Show InChI InChI=1S/C9H8/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,1H3
PDB

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2.00E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was determined for the kinetic constant against Dopamine beta hydroxylase purified from beef adrenals, inhibitory constant (Ki)


J Med Chem 29: 315-7 (1986)

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


(Bos taurus)
BDBM50017832
PNG
(4-Propenyl-phenol | CHEMBL163297)
Show SMILES C\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C9H10O/c1-2-3-8-4-6-9(10)7-5-8/h2-7,10H,1H3/b3-2+
PDB

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>2.00E+7n/an/an/an/an/an/an/an/a



Pennsylvania State University

Curated by ChEMBL


Assay Description
Compound was evaluated for the ability to bind to dopamine beta-hydroxylase of bovine


J Med Chem 32: 735-7 (1989)

More data for this
Ligand-Target Pair
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)
PDB

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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)

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)
PDB

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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)

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)
PDB

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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)

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)
PDB

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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)

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)
PDB

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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)

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)
PDB

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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)

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)
PDB

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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)

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)
PDB

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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)

More data for this
Ligand-Target Pair
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