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PubMed code 9435907

Compile data set for download or QSAR
Found 23 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
Kynurenine 3-monooxygenase


(Rattus norvegicus)
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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4.80n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against Kynurenine 3-hydroxylase


J Med Chem 40: 4378-85 (1998)


Article DOI: 10.1021/jm970467t
BindingDB Entry DOI: 10.7270/Q24B30DT
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50061915
PNG
(2-Amino-4-(3,4-dichloro-phenyl)-4-oxo-butyric acid...)
Show SMILES NC(CC(=O)c1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C10H9Cl2NO3/c11-6-2-1-5(3-7(6)12)9(14)4-8(13)10(15)16/h1-3,8H,4,13H2,(H,15,16)
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95n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against Kynurenine 3-hydroxylase


J Med Chem 40: 4378-85 (1998)


Article DOI: 10.1021/jm970467t
BindingDB Entry DOI: 10.7270/Q24B30DT
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50061924
PNG
(4-Amino-N-[4-(2-fluoro-5-trifluoromethyl-phenyl)-t...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nc(cs1)-c1cc(ccc1F)C(F)(F)F
Show InChI InChI=1S/C16H11F4N3O2S2/c17-13-6-1-9(16(18,19)20)7-12(13)14-8-26-15(22-14)23-27(24,25)11-4-2-10(21)3-5-11/h1-8H,21H2,(H,22,23)
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n/an/a 19n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat kidney Kynurenine 3-hydroxylase.


J Med Chem 40: 4378-85 (1998)


Article DOI: 10.1021/jm970467t
BindingDB Entry DOI: 10.7270/Q24B30DT
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
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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n/an/a 37n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat kidney Kynurenine 3-hydroxylase.


J Med Chem 40: 4378-85 (1998)


Article DOI: 10.1021/jm970467t
BindingDB Entry DOI: 10.7270/Q24B30DT
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50061922
PNG
(CHEMBL140071 | N-[4-(2-Fluoro-5-trifluoromethyl-ph...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1nc(cs1)-c1cc(ccc1F)C(F)(F)F
Show InChI InChI=1S/C18H14F4N2O4S2/c1-27-15-6-4-11(8-16(15)28-2)30(25,26)24-17-23-14(9-29-17)12-7-10(18(20,21)22)3-5-13(12)19/h3-9H,1-2H3,(H,23,24)
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n/an/a 39n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat kidney Kynurenine 3-hydroxylase.


J Med Chem 40: 4378-85 (1998)


Article DOI: 10.1021/jm970467t
BindingDB Entry DOI: 10.7270/Q24B30DT
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50061911
PNG
(4-Amino-N-[4-(3-nitro-phenyl)-thiazol-2-yl]-benzen...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nc(cs1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C15H12N4O4S2/c16-11-4-6-13(7-5-11)25(22,23)18-15-17-14(9-24-15)10-2-1-3-12(8-10)19(20)21/h1-9H,16H2,(H,17,18)
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n/an/a 40n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat kidney Kynurenine 3-hydroxylase.


J Med Chem 40: 4378-85 (1998)


Article DOI: 10.1021/jm970467t
BindingDB Entry DOI: 10.7270/Q24B30DT
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50061906
PNG
(4-Methyl-N-[4-(3-nitro-phenyl)-thiazol-2-yl]-benze...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1nc(cs1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H13N3O4S2/c1-11-5-7-14(8-6-11)25(22,23)18-16-17-15(10-24-16)12-3-2-4-13(9-12)19(20)21/h2-10H,1H3,(H,17,18)
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n/an/a 48n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat kidney Kynurenine 3-hydroxylase.


J Med Chem 40: 4378-85 (1998)


Article DOI: 10.1021/jm970467t
BindingDB Entry DOI: 10.7270/Q24B30DT
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50061917
PNG
(4-Methoxy-N-[4-(3-nitro-phenyl)-thiazol-2-yl]-benz...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1nc(cs1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H13N3O5S2/c1-24-13-5-7-14(8-6-13)26(22,23)18-16-17-15(10-25-16)11-3-2-4-12(9-11)19(20)21/h2-10H,1H3,(H,17,18)
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n/an/a 51n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat kidney Kynurenine 3-hydroxylase.


J Med Chem 40: 4378-85 (1998)


Article DOI: 10.1021/jm970467t
BindingDB Entry DOI: 10.7270/Q24B30DT
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50061918
PNG
(CHEMBL136265 | N-[4-(3,4-Dichloro-phenyl)-thiazol-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1nc(cs1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H12Cl2N2O2S2/c1-10-2-5-12(6-3-10)24(21,22)20-16-19-15(9-23-16)11-4-7-13(17)14(18)8-11/h2-9H,1H3,(H,19,20)
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n/an/a 56n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat kidney Kynurenine 3-hydroxylase.


J Med Chem 40: 4378-85 (1998)


Article DOI: 10.1021/jm970467t
BindingDB Entry DOI: 10.7270/Q24B30DT
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50061923
PNG
(CHEMBL335326 | N-[4-(4-Chloro-phenyl)-thiazol-2-yl...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1nc(cs1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN2O2S2/c1-11-2-8-14(9-3-11)23(20,21)19-16-18-15(10-22-16)12-4-6-13(17)7-5-12/h2-10H,1H3,(H,18,19)
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n/an/a 56n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat kidney Kynurenine 3-hydroxylase.


J Med Chem 40: 4378-85 (1998)


Article DOI: 10.1021/jm970467t
BindingDB Entry DOI: 10.7270/Q24B30DT
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50061909
PNG
(4-Methyl-N-(4-p-tolyl-thiazol-2-yl)-benzenesulfona...)
Show SMILES Cc1ccc(cc1)-c1csc(NS(=O)(=O)c2ccc(C)cc2)n1
Show InChI InChI=1S/C17H16N2O2S2/c1-12-3-7-14(8-4-12)16-11-22-17(18-16)19-23(20,21)15-9-5-13(2)6-10-15/h3-11H,1-2H3,(H,18,19)
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n/an/a 76n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat kidney Kynurenine 3-hydroxylase.


J Med Chem 40: 4378-85 (1998)


Article DOI: 10.1021/jm970467t
BindingDB Entry DOI: 10.7270/Q24B30DT
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50061913
PNG
(4-Chloro-N-[4-(3-nitro-phenyl)-thiazol-2-yl]-benze...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C15H10ClN3O4S2/c16-11-4-6-13(7-5-11)25(22,23)18-15-17-14(9-24-15)10-2-1-3-12(8-10)19(20)21/h1-9H,(H,17,18)
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n/an/a 84n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat kidney Kynurenine 3-hydroxylase.


J Med Chem 40: 4378-85 (1998)


Article DOI: 10.1021/jm970467t
BindingDB Entry DOI: 10.7270/Q24B30DT
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50061910
PNG
(CHEMBL138010 | N-[4-(4-Hydroxy-3-methyl-phenyl)-th...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1nc(cs1)-c1ccc(O)c(C)c1
Show InChI InChI=1S/C17H16N2O3S2/c1-11-3-6-14(7-4-11)24(21,22)19-17-18-15(10-23-17)13-5-8-16(20)12(2)9-13/h3-10,20H,1-2H3,(H,18,19)
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n/an/a 114n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat kidney Kynurenine 3-hydroxylase.


J Med Chem 40: 4378-85 (1998)


Article DOI: 10.1021/jm970467t
BindingDB Entry DOI: 10.7270/Q24B30DT
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50061925
PNG
(3,4-Dichloro-N-[4-(3-nitro-phenyl)-thiazol-2-yl]-b...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1csc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)n1
Show InChI InChI=1S/C15H9Cl2N3O4S2/c16-12-5-4-11(7-13(12)17)26(23,24)19-15-18-14(8-25-15)9-2-1-3-10(6-9)20(21)22/h1-8H,(H,18,19)
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n/an/a 120n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat kidney Kynurenine 3-hydroxylase.


J Med Chem 40: 4378-85 (1998)


Article DOI: 10.1021/jm970467t
BindingDB Entry DOI: 10.7270/Q24B30DT
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50061912
PNG
(CHEMBL343363 | N-[4-(3-Nitro-phenyl)-thiazol-2-yl]...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1csc(NS(=O)(=O)c2ccccc2)n1
Show InChI InChI=1S/C15H11N3O4S2/c19-18(20)12-6-4-5-11(9-12)14-10-23-15(16-14)17-24(21,22)13-7-2-1-3-8-13/h1-10H,(H,16,17)
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n/an/a 200n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat kidney Kynurenine 3-hydroxylase.


J Med Chem 40: 4378-85 (1998)


Article DOI: 10.1021/jm970467t
BindingDB Entry DOI: 10.7270/Q24B30DT
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50061915
PNG
(2-Amino-4-(3,4-dichloro-phenyl)-4-oxo-butyric acid...)
Show SMILES NC(CC(=O)c1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C10H9Cl2NO3/c11-6-2-1-5(3-7(6)12)9(14)4-8(13)10(15)16/h1-3,8H,4,13H2,(H,15,16)
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n/an/a 237n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat kidney Kynurenine 3-hydroxylase.


J Med Chem 40: 4378-85 (1998)


Article DOI: 10.1021/jm970467t
BindingDB Entry DOI: 10.7270/Q24B30DT
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50061914
PNG
(CHEMBL342434 | N-[4-(4-Methoxy-phenyl)-thiazol-2-y...)
Show SMILES COc1ccc(cc1)-c1csc(NS(=O)(=O)c2ccc(C)cc2)n1
Show InChI InChI=1S/C17H16N2O3S2/c1-12-3-9-15(10-4-12)24(20,21)19-17-18-16(11-23-17)13-5-7-14(22-2)8-6-13/h3-11H,1-2H3,(H,18,19)
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n/an/a 240n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat kidney Kynurenine 3-hydroxylase.


J Med Chem 40: 4378-85 (1998)


Article DOI: 10.1021/jm970467t
BindingDB Entry DOI: 10.7270/Q24B30DT
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50061921
PNG
(4-Methyl-N-(4-phenyl-thiazol-2-yl)-benzenesulfonam...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C16H14N2O2S2/c1-12-7-9-14(10-8-12)22(19,20)18-16-17-15(11-21-16)13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)
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n/an/a 470n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat kidney Kynurenine 3-hydroxylase.


J Med Chem 40: 4378-85 (1998)


Article DOI: 10.1021/jm970467t
BindingDB Entry DOI: 10.7270/Q24B30DT
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50061907
PNG
((+/-)-2-Amino-4-(3-nitro-phenyl)-4-oxo-butyric aci...)
Show SMILES NC(CC(=O)c1cccc(c1)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C10H10N2O5/c11-8(10(14)15)5-9(13)6-2-1-3-7(4-6)12(16)17/h1-4,8H,5,11H2,(H,14,15)
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n/an/a 774n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat kidney Kynurenine 3-hydroxylase.


J Med Chem 40: 4378-85 (1998)


Article DOI: 10.1021/jm970467t
BindingDB Entry DOI: 10.7270/Q24B30DT
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50061926
PNG
(4-Isopropyl-N-[4-(3-nitro-phenyl)-thiazol-2-yl]-be...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1nc(cs1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C18H17N3O4S2/c1-12(2)13-6-8-16(9-7-13)27(24,25)20-18-19-17(11-26-18)14-4-3-5-15(10-14)21(22)23/h3-12H,1-2H3,(H,19,20)
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n/an/a 990n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat kidney Kynurenine 3-hydroxylase.


J Med Chem 40: 4378-85 (1998)


Article DOI: 10.1021/jm970467t
BindingDB Entry DOI: 10.7270/Q24B30DT
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50061919
PNG
(5-[5-(3-Nitro-phenyl)-isoxazol-3-yl]-1H-tetrazole ...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1[cH-]c(n[o+]1)-c1nnn[nH]1
Show InChI InChI=1S/C10H6N6O3/c17-16(18)7-3-1-2-6(4-7)9-5-8(13-19-9)10-11-14-15-12-10/h1-5H,(H,11,12,14,15)
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n/an/a 1.16E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat kidney Kynurenine 3-hydroxylase.


J Med Chem 40: 4378-85 (1998)


Article DOI: 10.1021/jm970467t
BindingDB Entry DOI: 10.7270/Q24B30DT
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50061908
PNG
(5-(3-Nitro-phenyl)-isoxazole-3-carboxylic acid | C...)
Show SMILES OC(=O)c1[cH-]c([o+]n1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C10H6N2O5/c13-10(14)8-5-9(17-11-8)6-2-1-3-7(4-6)12(15)16/h1-5H,(H,13,14)
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n/an/a 2.68E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat kidney Kynurenine 3-hydroxylase.


J Med Chem 40: 4378-85 (1998)


Article DOI: 10.1021/jm970467t
BindingDB Entry DOI: 10.7270/Q24B30DT
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50061920
PNG
(4-(3-Nitro-phenyl)-4-oxo-butyric acid | CHEMBL1389...)
Show SMILES OC(=O)CCC(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C10H9NO5/c12-9(4-5-10(13)14)7-2-1-3-8(6-7)11(15)16/h1-3,6H,4-5H2,(H,13,14)
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Article
PubMed
n/an/a 5.77E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat kidney Kynurenine 3-hydroxylase.


J Med Chem 40: 4378-85 (1998)


Article DOI: 10.1021/jm970467t
BindingDB Entry DOI: 10.7270/Q24B30DT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%