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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = 'Phenylalanine-4-hydroxylase'   
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
Phenylalanine-4-hydroxylase


(Homo sapiens)
BDBM50156156
PNG
(2-Amino-7-(1,2-dihydroxy-propyl)-5,6,7,8-tetrahydr...)
Show SMILES CC(O)C(O)C1CNc2c(N1)nc(N)[nH]c2=O
Show InChI InChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-5-7(12-4)13-9(10)14-8(5)17/h3-4,6,11,15-16H,2H2,1H3,(H4,10,12,13,14,17)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Bergen

Curated by ChEMBL


Assay Description
Inhibitory concentration against human phenylalanine hydroxylase


Citation and Details
More data for this
Ligand-Target Pair
Phenylalanine-4-hydroxylase


(Rattus norvegicus)
BDBM50028430
PNG
(2-Amino-6-phenyl-7,8-dihydro-3H,6H-pyrimido[5,4-b]...)
Show SMILES Nc1nc2NCC(Sc2c(=O)[nH]1)c1ccccc1
Show InChI InChI=1S/C12H12N4OS/c13-12-15-10-9(11(17)16-12)18-8(6-14-10)7-4-2-1-3-5-7/h1-5,8H,6H2,(H4,13,14,15,16,17)
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200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for competitive binding inhibition against phenylalanine hydroxylase in rat liver


J Med Chem 26: 559-63 (1983)

More data for this
Ligand-Target Pair
Phenylalanine-4-hydroxylase


(Rattus norvegicus)
BDBM50028428
PNG
(2,6-Diamino-5-phenylsulfanyl-3H-pyrimidin-4-one | ...)
Show SMILES Nc1nc(N)c(Sc2ccccc2)c(=O)[nH]1
Show InChI InChI=1S/C10H10N4OS/c11-8-7(9(15)14-10(12)13-8)16-6-4-2-1-3-5-6/h1-5H,(H5,11,12,13,14,15)
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4.70E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for competitive binding inhibition against phenylalanine hydroxylase in rat liver


J Med Chem 26: 559-63 (1983)

More data for this
Ligand-Target Pair
Phenylalanine-4-hydroxylase


(Homo sapiens)
BDBM50156156
PNG
(2-Amino-7-(1,2-dihydroxy-propyl)-5,6,7,8-tetrahydr...)
Show SMILES CC(O)C(O)C1CNc2c(N1)nc(N)[nH]c2=O
Show InChI InChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-5-7(12-4)13-9(10)14-8(5)17/h3-4,6,11,15-16H,2H2,1H3,(H4,10,12,13,14,17)
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PubMed
7.00E+3n/an/an/an/an/an/an/an/a



University of Bergen

Curated by ChEMBL


Assay Description
Binding affinity for human phenylalanine hydroxylase


Citation and Details
More data for this
Ligand-Target Pair
Phenylalanine-4-hydroxylase


(Rattus norvegicus)
BDBM50028426
PNG
(2-Amino-5-oxo-6-phenyl-5,6,7,8-tetrahydro-3H-5lamb...)
Show SMILES Nc1nc2NC=C(c3ccccc3)S(=O)c2c(=O)[nH]1
Show InChI InChI=1S/C12H11N4O2S/c13-12-15-10-9(11(17)16-12)19(18)8(6-14-10)7-4-2-1-3-5-7/h1-6,18H,(H4,13,14,15,16,17)
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7.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for competitive binding inhibition against phenylalanine hydroxylase in rat liver


J Med Chem 26: 559-63 (1983)

More data for this
Ligand-Target Pair
Phenylalanine-4-hydroxylase


(Rattus norvegicus)
BDBM50028425
PNG
(2-Amino-6-methyl-7,8-dihydro-3H,6H-pyrimido[5,4-b]...)
Show SMILES CC1CNc2nc(N)[nH]c(=O)c2S1
Show InChI InChI=1S/C7H10N4OS/c1-3-2-9-5-4(13-3)6(12)11-7(8)10-5/h3H,2H2,1H3,(H4,8,9,10,11,12)
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3.60E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for competitive binding inhibition against phenylalanine hydroxylase in rat liver


J Med Chem 26: 559-63 (1983)

More data for this
Ligand-Target Pair
Phenylalanine-4-hydroxylase


(Rattus norvegicus)
BDBM50028424
PNG
(2-Amino-7,8-dihydro-3H,6H-pyrimido[5,4-b][1,4]thia...)
Show SMILES Nc1nc2NCCSc2c(=O)[nH]1
Show InChI InChI=1S/C6H8N4OS/c7-6-9-4-3(5(11)10-6)12-2-1-8-4/h1-2H2,(H4,7,8,9,10,11)
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8.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for competitive binding inhibition against phenylalanine hydroxylase in rat liver


J Med Chem 26: 559-63 (1983)

More data for this
Ligand-Target Pair
Phenylalanine-4-hydroxylase


(Rattus norvegicus)
BDBM50028427
PNG
(2-Amino-6-methyl-5-oxo-5,6,7,8-tetrahydro-3H-5lamb...)
Show SMILES CC1=CNc2nc(N)[nH]c(=O)c2S1=O
Show InChI InChI=1S/C7H9N4O2S/c1-3-2-9-5-4(14(3)13)6(12)11-7(8)10-5/h2,13H,1H3,(H4,8,9,10,11,12)
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1.25E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for competitive binding inhibition against phenylalanine hydroxylase in rat liver


J Med Chem 26: 559-63 (1983)

More data for this
Ligand-Target Pair
Phenylalanine-4-hydroxylase


(Rattus norvegicus)
BDBM50028431
PNG
(2-Amino-5-oxo-5,6,7,8-tetrahydro-3H-5lambda*4*-pyr...)
Show SMILES Nc1nc2NC=CS(=O)c2c(=O)[nH]1
Show InChI InChI=1S/C6H7N4O2S/c7-6-9-4-3(5(11)10-6)13(12)2-1-8-4/h1-2,12H,(H4,7,8,9,10,11)
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4.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for competitive binding inhibition against phenylalanine hydroxylase in rat liver


J Med Chem 26: 559-63 (1983)

More data for this
Ligand-Target Pair
Phenylalanine-4-hydroxylase


(Rattus norvegicus)
BDBM50028429
PNG
(2-Amino-3,5,6,7-tetrahydro-pyrimido[4,5-b][1,4]thi...)
Show SMILES Nc1nc2SCCNc2c(=O)[nH]1
Show InChI InChI=1S/C6H8N4OS/c7-6-9-4(11)3-5(10-6)12-2-1-8-3/h8H,1-2H2,(H3,7,9,10,11)
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5.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for competitive binding inhibition against phenylalanine hydroxylase in rat liver


J Med Chem 26: 559-63 (1983)

More data for this
Ligand-Target Pair