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PubMed code 3950911

Compile data set for download or QSAR
Found 9 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)
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)


BindingDB Entry DOI: 10.7270/Q2H99464
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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PubMed
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)


BindingDB Entry DOI: 10.7270/Q2H99464
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)


BindingDB Entry DOI: 10.7270/Q2H99464
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)


BindingDB Entry DOI: 10.7270/Q2H99464
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)


BindingDB Entry DOI: 10.7270/Q2H99464
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)


BindingDB Entry DOI: 10.7270/Q2H99464
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
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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)


BindingDB Entry DOI: 10.7270/Q2H99464
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
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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)


BindingDB Entry DOI: 10.7270/Q2H99464
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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CHEMBL
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PubMed
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)


BindingDB Entry DOI: 10.7270/Q2H99464
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%