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Compile Data Set for Download or QSAR

Found 8 hits with Last Name = 'phillips' and Initial = 'rs'   
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
Kynureninase


(Homo sapiens (Human))
BDBM50109155
PNG
(2-Amino-4-hydroxy-4-(3-hydroxy-phenyl)-butyric aci...)
Show SMILES NC(CC(O)c1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C10H13NO4/c11-8(10(14)15)5-9(13)6-2-1-3-7(12)4-6/h1-4,8-9,12-13H,5,11H2,(H,14,15)
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100n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of human kynureninase


J Med Chem 52: 389-96 (2009)


Article DOI: 10.1021/jm8010806
BindingDB Entry DOI: 10.7270/Q2DZ0860
More data for this
Ligand-Target Pair
Aromatic-L-amino-acid decarboxylase


(Sus scrofa)
BDBM50005740
PNG
((+)-1-Amino-2-(3-hydroxy-phenyl)-cyclopropa necarb...)
Show SMILES NC1(CC1c1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C10H11NO3/c11-10(9(13)14)5-8(10)6-2-1-3-7(12)4-6/h1-4,8,12H,5,11H2,(H,13,14)
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2.20E+4n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against pig kidney L-aromatic amino acid decarboxylase (Dopamine decarboxylase)


J Med Chem 35: 1410-7 (1992)


BindingDB Entry DOI: 10.7270/Q2W094WD
More data for this
Ligand-Target Pair
Aromatic-L-amino-acid decarboxylase


(Sus scrofa)
BDBM50005743
PNG
((-)-1-Amino-2-(3-hydroxy-phenyl)-cyclopropanecarbo...)
Show SMILES N[C@]1(C[C@H]1c1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C10H11NO3/c11-10(9(13)14)5-8(10)6-2-1-3-7(12)4-6/h1-4,8,12H,5,11H2,(H,13,14)/t8-,10-/m0/s1
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4.90E+4n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against pig kidney L-aromatic amino acid decarboxylase(Dopa decarboxylase)


J Med Chem 35: 1410-7 (1992)


BindingDB Entry DOI: 10.7270/Q2W094WD
More data for this
Ligand-Target Pair
Kynureninase


(Homo sapiens (Human))
BDBM50265459
PNG
(3-Hydroxyhippuric acid | CHEMBL447627)
Show SMILES OC(=O)CNC(=O)c1cccc(O)c1
Show InChI InChI=1S/C9H9NO4/c11-7-3-1-2-6(4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)
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6.00E+4n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of human kynureninase


J Med Chem 52: 389-96 (2009)


Article DOI: 10.1021/jm8010806
BindingDB Entry DOI: 10.7270/Q2DZ0860
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aromatic-L-amino-acid decarboxylase


(Sus scrofa)
BDBM50005741
PNG
((+)-1-Amino-2-(3-hydroxy-phenyl)-cyclopropanecarbo...)
Show SMILES N[C@@]1(C[C@@H]1c1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C10H11NO3/c11-10(9(13)14)5-8(10)6-2-1-3-7(12)4-6/h1-4,8,12H,5,11H2,(H,13,14)/t8-,10-/m1/s1
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3.30E+5n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against pig kidney L-aromatic amino acid decarboxylase (Dopa decarboxylase)


J Med Chem 35: 1410-7 (1992)


BindingDB Entry DOI: 10.7270/Q2W094WD
More data for this
Ligand-Target Pair
Aromatic-L-amino-acid decarboxylase


(Sus scrofa)
BDBM50005740
PNG
((+)-1-Amino-2-(3-hydroxy-phenyl)-cyclopropa necarb...)
Show SMILES NC1(CC1c1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C10H11NO3/c11-10(9(13)14)5-8(10)6-2-1-3-7(12)4-6/h1-4,8,12H,5,11H2,(H,13,14)
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6.30E+5n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against pig kidney L-aromatic amino acid decarboxylase(Dopa decarboxylase)


J Med Chem 35: 1410-7 (1992)


BindingDB Entry DOI: 10.7270/Q2W094WD
More data for this
Ligand-Target Pair
Aromatic-L-amino-acid decarboxylase


(Sus scrofa)
BDBM50005742
PNG
((+)-D-m-Tyrosine2-Amino-3-(3-hydroxy-phenyl)-2-met...)
Show SMILES C[C@](N)(Cc1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-3-2-4-8(12)5-7/h2-5,12H,6,11H2,1H3,(H,13,14)/t10-/m0/s1
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1.00E+6n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against pig kidney L-aromatic amino acid decarboxylase (Dopamine decarboxylase)


J Med Chem 35: 1410-7 (1992)


BindingDB Entry DOI: 10.7270/Q2W094WD
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50061916
PNG
(3,4-Dimethoxy-N-[4-(3-nitro-phenyl)-thiazol-2-yl]-...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1nc(cs1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H15N3O6S2/c1-25-15-7-6-13(9-16(15)26-2)28(23,24)19-17-18-14(10-27-17)11-4-3-5-12(8-11)20(21)22/h3-10H,1-2H3,(H,18,19)
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PubMed
n/an/a 37n/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of KMO (unknown origin)


Bioorg Med Chem Lett 27: 1705-1708 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.080
BindingDB Entry DOI: 10.7270/Q2154K97
More data for this
Ligand-Target Pair