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Compile Data Set for Download or QSAR

Found 111 hits Enz. Inhib. hit(s) with Target = 'Kynurenine 3-monooxygenase' AND taxid = 10116   
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
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072078
PNG
(CHEMBL3407905)
Show SMILES OC(=O)c1cc(ncn1)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C11H6F2N2O2/c12-7-2-1-6(3-8(7)13)9-4-10(11(16)17)15-5-14-9/h1-5H,(H,16,17)
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n/an/a 2n/an/an/an/an/an/a



Evotec (U.K.) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat KMO assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072077
PNG
(CHEMBL3407866)
Show SMILES OC(=O)c1cc(ncn1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C11H6Cl2N2O2/c12-7-2-1-6(3-8(7)13)9-4-10(11(16)17)15-5-14-9/h1-5H,(H,16,17)
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n/an/a 3.20n/an/an/an/an/an/a



Evotec (U.K.) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat KMO assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072081
PNG
(CHEMBL3407922)
Show SMILES OC(=O)c1cc(ncn1)-c1ccc(OC2CC2)c(Cl)c1
Show InChI InChI=1S/C14H11ClN2O3/c15-10-5-8(1-4-13(10)20-9-2-3-9)11-6-12(14(18)19)17-7-16-11/h1,4-7,9H,2-3H2,(H,18,19)
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n/an/a 4n/an/an/an/an/an/a



Evotec (U.K.) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat KMO assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072079
PNG
(CHEMBL3407913)
Show SMILES Cc1ccc(cc1Cl)-c1cc(ncn1)C(O)=O
Show InChI InChI=1S/C12H9ClN2O2/c1-7-2-3-8(4-9(7)13)10-5-11(12(16)17)15-6-14-10/h2-6H,1H3,(H,16,17)
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n/an/a 4.10n/an/an/an/an/an/a



Evotec (U.K.) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat KMO assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072080
PNG
(CHEMBL3407919)
Show SMILES OC(=O)c1cc(ncn1)-c1ccc(OC(F)(F)F)c(Cl)c1
Show InChI InChI=1S/C12H6ClF3N2O3/c13-7-3-6(1-2-10(7)21-12(14,15)16)8-4-9(11(19)20)18-5-17-8/h1-5H,(H,19,20)
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n/an/a 17n/an/an/an/an/an/a



Evotec (U.K.) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat KMO assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis


Citation and Details
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.


Citation and Details
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 22n/an/an/an/an/an/a



CHDI Management/CHDI Foundation

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat KMO assessed as 3-hydroxykynurenine formation preincubated for 5 mins using 100 uM kynurenine as substrate by LC-MS/MS analy...


Citation and Details
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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072081
PNG
(CHEMBL3407922)
Show SMILES OC(=O)c1cc(ncn1)-c1ccc(OC2CC2)c(Cl)c1
Show InChI InChI=1S/C14H11ClN2O3/c15-10-5-8(1-4-13(10)20-9-2-3-9)11-6-12(14(18)19)17-7-16-11/h1,4-7,9H,2-3H2,(H,18,19)
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n/an/a 72n/an/an/an/an/an/a



Evotec (U.K.) Ltd

Curated by ChEMBL


Assay Description
Inhibition of KMO in rat microglia cells


Citation and Details
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.


Citation and Details
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.


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072078
PNG
(CHEMBL3407905)
Show SMILES OC(=O)c1cc(ncn1)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C11H6F2N2O2/c12-7-2-1-6(3-8(7)13)9-4-10(11(16)17)15-5-14-9/h1-5H,(H,16,17)
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n/an/a 86n/an/an/an/an/an/a



Evotec (U.K.) Ltd

Curated by ChEMBL


Assay Description
Inhibition of KMO in rat microglia cells


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072079
PNG
(CHEMBL3407913)
Show SMILES Cc1ccc(cc1Cl)-c1cc(ncn1)C(O)=O
Show InChI InChI=1S/C12H9ClN2O2/c1-7-2-3-8(4-9(7)13)10-5-11(12(16)17)15-6-14-10/h2-6H,1H3,(H,16,17)
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n/an/a 100n/an/an/an/an/an/a



Evotec (U.K.) Ltd

Curated by ChEMBL


Assay Description
Inhibition of KMO in rat microglia cells


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072077
PNG
(CHEMBL3407866)
Show SMILES OC(=O)c1cc(ncn1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C11H6Cl2N2O2/c12-7-2-1-6(3-8(7)13)9-4-10(11(16)17)15-5-14-9/h1-5H,(H,16,17)
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n/an/a 105n/an/an/an/an/an/a



Evotec (U.K.) Ltd

Curated by ChEMBL


Assay Description
Inhibition of KMO in rat microglia cells


Citation and Details
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.


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072244
PNG
((Z)-4-(3,4-Difluoro-phenyl)-2-hydroxy-4-oxo-but-2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C10H6F2O4/c11-6-2-1-5(3-7(6)12)8(13)4-9(14)10(15)16/h1-3H,4H2,(H,15,16)
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n/an/a 120n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Kynurenine-3-hydroxylase enzyme isolated from the rat liver


J Med Chem 43: 123-7 (2000)

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.


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072257
PNG
(2-Benzyl-4-(3,4-dichloro-phenyl)-4-oxo-butyric aci...)
Show SMILES OC(=O)C(CC(=O)c1ccc(Cl)c(Cl)c1)Cc1ccccc1
Show InChI InChI=1S/C17H14Cl2O3/c18-14-7-6-12(9-15(14)19)16(20)10-13(17(21)22)8-11-4-2-1-3-5-11/h1-7,9,13H,8,10H2,(H,21,22)
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n/an/a 180n/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
Inhibition of rat brain KYN 3-OHase.


Bioorg Med Chem Lett 8: 2907-12 (1999)

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 200n/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of rat brain KYN 3-OHase


Bioorg Med Chem Lett 8: 2907-12 (1999)

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 200n/an/an/an/an/an/a



Evotec (U.K.) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat KMO


Citation and Details
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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50083948
PNG
(4-(3-Chloro-4-fluoro-phenyl)-2-hydroxy-4-oxo-but-2...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C10H6ClFO4/c11-6-3-5(1-2-7(6)12)8(13)4-9(14)10(15)16/h1-3H,4H2,(H,15,16)
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n/an/a 270n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Kynurenine-3-hydroxylase enzyme isolated from the rat liver


J Med Chem 43: 123-7 (2000)

More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072242
PNG
(4-(3,4-Dichloro-phenyl)-2-hydroxy-4-oxo-butyric ac...)
Show SMILES OC(CC(=O)c1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C10H8Cl2O4/c11-6-2-1-5(3-7(6)12)8(13)4-9(14)10(15)16/h1-3,9,14H,4H2,(H,15,16)
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n/an/a 300n/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of rat brain KYN 3-OHase


Bioorg Med Chem Lett 8: 2907-12 (1999)

More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50083940
PNG
(4-(3-Chloro-phenyl)-2-hydroxy-4-oxo-but-2-enoic ac...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C10H7ClO4/c11-7-3-1-2-6(4-7)8(12)5-9(13)10(14)15/h1-4H,5H2,(H,14,15)
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n/an/a 320n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Kynurenine-3-hydroxylase enzyme isolated from the rat liver


J Med Chem 43: 123-7 (2000)

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 330n/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of rat liver KYN 3-OHase


Bioorg Med Chem Lett 8: 2907-12 (1999)

More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072248
PNG
((S)-4-(3,4-Dichloro-phenyl)-2-hydroxy-4-oxo-butyri...)
Show SMILES O[C@@H](CC(=O)c1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C10H8Cl2O4/c11-6-2-1-5(3-7(6)12)8(13)4-9(14)10(15)16/h1-3,9,14H,4H2,(H,15,16)/t9-/m0/s1
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n/an/a 420n/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
Inhibition of rat liver KYN 3-OHase.


Bioorg Med Chem Lett 8: 2907-12 (1999)

More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072244
PNG
((Z)-4-(3,4-Difluoro-phenyl)-2-hydroxy-4-oxo-but-2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C10H6F2O4/c11-6-2-1-5(3-7(6)12)8(13)4-9(14)10(15)16/h1-3H,4H2,(H,15,16)
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n/an/a 440n/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
Inhibition of rat brain KYN 3-OHase.


Bioorg Med Chem Lett 8: 2907-12 (1999)

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.


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072249
PNG
(4-(3-Chloro-phenyl)-2-hydroxy-4-oxo-butyric acid |...)
Show SMILES OC(CC(=O)c1cccc(Cl)c1)C(O)=O
Show InChI InChI=1S/C10H9ClO4/c11-7-3-1-2-6(4-7)8(12)5-9(13)10(14)15/h1-4,9,13H,5H2,(H,14,15)
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n/an/a 480n/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
Inhibition of rat brain KYN 3-OHase.


Bioorg Med Chem Lett 8: 2907-12 (1999)

More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50083950
PNG
((S)-(+)-2-Amino-4-(3-nitro-phenyl)-4-oxo-butyric a...)
Show SMILES N[C@@H](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)/t8-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against kynurenine 3-hydroxylase


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50083931
PNG
(4-(3-Fluoro-phenyl)-2-hydroxy-4-oxo-but-2-enoic ac...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(F)c1
Show InChI InChI=1S/C10H7FO4/c11-7-3-1-2-6(4-7)8(12)5-9(13)10(14)15/h1-4H,5H2,(H,14,15)
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n/an/a 580n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Kynurenine-3-hydroxylase enzyme isolated from the rat liver


J Med Chem 43: 123-7 (2000)

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.


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50083933
PNG
(2-Amino-4-(3-chloro-4-fluoro-phenyl)-4-oxo-but-2-e...)
Show SMILES OC(=O)C(=N)CC(=O)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C10H7ClFNO3/c11-6-3-5(1-2-7(6)12)9(14)4-8(13)10(15)16/h1-3,13H,4H2,(H,15,16)
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n/an/a 820n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Kynurenine-3-hydroxylase enzyme isolated from the rat liver


J Med Chem 43: 123-7 (2000)

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 900n/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Ability to inhibit kynurenine-3-hydroxylase was determined in a competitive inhibition assay.


J Med Chem 37: 647-55 (1994)

More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072245
PNG
(4-(3,4-Dichloro-phenyl)-4-oxo-butyric acid | CHEMB...)
Show SMILES OC(=O)CCC(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C10H8Cl2O3/c11-7-2-1-6(5-8(7)12)9(13)3-4-10(14)15/h1-2,5H,3-4H2,(H,14,15)
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n/an/a 900n/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
Inhibition of rat brain KYN 3-OHase.


Bioorg Med Chem Lett 8: 2907-12 (1999)

More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072254
PNG
((E)-4-(3,4-Dichloro-phenyl)-4-oxo-but-2-enoic acid...)
Show SMILES OC(=O)\C=C\C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C10H6Cl2O3/c11-7-2-1-6(5-8(7)12)9(13)3-4-10(14)15/h1-5H,(H,14,15)/b4-3+
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n/an/a 900n/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
Inhibition of rat brain KYN 3-OHase.


Bioorg Med Chem Lett 8: 2907-12 (1999)

More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072260
PNG
((Z)-4-(3,4-Dichloro-phenyl)-2-hydroxy-4-oxo-but-2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C10H6Cl2O4/c11-6-2-1-5(3-7(6)12)8(13)4-9(14)10(15)16/h1-3H,4H2,(H,15,16)
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n/an/a 950n/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
Inhibition of rat brain KYN 3-OHase.


Bioorg Med Chem Lett 8: 2907-12 (1999)

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.


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072080
PNG
(CHEMBL3407919)
Show SMILES OC(=O)c1cc(ncn1)-c1ccc(OC(F)(F)F)c(Cl)c1
Show InChI InChI=1S/C12H6ClF3N2O3/c13-7-3-6(1-2-10(7)21-12(14,15)16)8-4-9(11(19)20)18-5-17-8/h1-5H,(H,19,20)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Evotec (U.K.) Ltd

Curated by ChEMBL


Assay Description
Inhibition of KMO in rat microglia cells


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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 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Kynurenine 3-hydroxylase


Citation and Details
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Ligand-Target Pair
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