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Compile Data Set for Download or QSAR

Found 314 hits Enz. Inhib. hit(s) with Target = 'Kynurenine 3-monooxygenase'   
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


(Homo sapiens)
BDBM50206604
PNG
(CHEMBL3931822)
Show SMILES OC(=O)c1nccc(n1)-c1cccc(Cl)c1F
Show InChI InChI=1S/C11H6ClFN2O2/c12-7-3-1-2-6(9(7)13)8-4-5-14-10(15-8)11(16)17/h1-5H,(H,16,17)
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n/an/a 0.200n/an/an/an/an/an/a



Dr. Harisingh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens)
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 0.200n/an/an/an/an/an/a



Evotec (U.K.) Ltd

Curated by ChEMBL


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


J Med Chem 58: 1159-83 (2015)


Article DOI: 10.1021/jm501350y
BindingDB Entry DOI: 10.7270/Q2445P5N
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens)
BDBM50206615
PNG
(CHEMBL3903832)
Show SMILES OC(=O)c1nccc(n1)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C11H6F2N2O2/c12-7-2-1-6(5-8(7)13)9-3-4-14-10(15-9)11(16)17/h1-5H,(H,16,17)
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n/an/a 0.200n/an/an/an/an/an/a



Dr. Harisingh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens)
BDBM50072123
PNG
(CHEMBL3407904)
Show SMILES OC(=O)c1cc(ncn1)-c1cccc(Cl)c1F
Show InChI InChI=1S/C11H6ClFN2O2/c12-7-3-1-2-6(10(7)13)8-4-9(11(16)17)15-5-14-8/h1-5H,(H,16,17)
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n/an/a 0.200n/an/an/an/an/an/a



Evotec (U.K.) Ltd

Curated by ChEMBL


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


J Med Chem 58: 1159-83 (2015)


Article DOI: 10.1021/jm501350y
BindingDB Entry DOI: 10.7270/Q2445P5N
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens)
BDBM50072120
PNG
(CHEMBL3407901)
Show SMILES OC(=O)c1cc(ncn1)-c1cccc(F)c1
Show InChI InChI=1S/C11H7FN2O2/c12-8-3-1-2-7(4-8)9-5-10(11(15)16)14-6-13-9/h1-6H,(H,15,16)
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n/an/a 0.300n/an/an/an/an/an/a



Evotec (U.K.) Ltd

Curated by ChEMBL


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


J Med Chem 58: 1159-83 (2015)


Article DOI: 10.1021/jm501350y
BindingDB Entry DOI: 10.7270/Q2445P5N
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens)
BDBM50206628
PNG
(CHEMBL3921825)
Show SMILES OC(=O)c1nccc(n1)-c1cccc(F)c1
Show InChI InChI=1S/C11H7FN2O2/c12-8-3-1-2-7(6-8)9-4-5-13-10(14-9)11(15)16/h1-6H,(H,15,16)
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n/an/a 0.300n/an/an/an/an/an/a



Dr. Harisingh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens)
BDBM50206625
PNG
(CHEMBL3894894)
Show SMILES OC(=O)c1nccc(n1)-c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C11H6ClFN2O2/c12-7-2-1-6(5-8(7)13)9-3-4-14-10(15-9)11(16)17/h1-5H,(H,16,17)
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n/an/a 0.300n/an/an/an/an/an/a



Dr. Harisingh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens)
BDBM50072122
PNG
(CHEMBL3407903)
Show SMILES OC(=O)c1cc(ncn1)-c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C11H6ClFN2O2/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 0.300n/an/an/an/an/an/a



Evotec (U.K.) Ltd

Curated by ChEMBL


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


J Med Chem 58: 1159-83 (2015)


Article DOI: 10.1021/jm501350y
BindingDB Entry DOI: 10.7270/Q2445P5N
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens)
BDBM50072082
PNG
(CHEMBL3407865)
Show SMILES OC(=O)c1cc(ncn1)-c1cccc(Cl)c1
Show InChI InChI=1S/C11H7ClN2O2/c12-8-3-1-2-7(4-8)9-5-10(11(15)16)14-6-13-9/h1-6H,(H,15,16)
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n/an/a 0.5n/an/an/an/an/an/a



Dr. Harisingh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens)
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 0.5n/an/an/an/an/an/a



Colorado College

Curated by ChEMBL


Assay Description
Inhibition of human KMO


J Med Chem 58: 8762-82 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00461
BindingDB Entry DOI: 10.7270/Q2C82C3F
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens)
BDBM50206607
PNG
(CHEMBL3960765)
Show SMILES OC(=O)c1nccc(n1)-c1ccc(OC2CC2)c(Cl)c1
Show InChI InChI=1S/C14H11ClN2O3/c15-10-7-8(1-4-12(10)20-9-2-3-9)11-5-6-16-13(17-11)14(18)19/h1,4-7,9H,2-3H2,(H,18,19)
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n/an/a 0.5n/an/an/an/an/an/a



Dr. Harisingh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens)
BDBM50072082
PNG
(CHEMBL3407865)
Show SMILES OC(=O)c1cc(ncn1)-c1cccc(Cl)c1
Show InChI InChI=1S/C11H7ClN2O2/c12-8-3-1-2-7(4-8)9-5-10(11(15)16)14-6-13-9/h1-6H,(H,15,16)
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n/an/a 0.5n/an/an/an/an/an/a



Evotec (U.K.) Ltd

Curated by ChEMBL


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


J Med Chem 58: 1159-83 (2015)


Article DOI: 10.1021/jm501350y
BindingDB Entry DOI: 10.7270/Q2445P5N
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens)
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 0.5n/an/an/an/an/an/a



Evotec (U.K.) Ltd

Curated by ChEMBL


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


J Med Chem 58: 1159-83 (2015)


Article DOI: 10.1021/jm501350y
BindingDB Entry DOI: 10.7270/Q2445P5N
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens)
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 0.600n/an/an/an/an/an/a



Dr. Harisingh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens)
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 0.600n/an/an/an/an/an/a



Evotec (U.K.) Ltd

Curated by ChEMBL


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


J Med Chem 58: 1159-83 (2015)


Article DOI: 10.1021/jm501350y
BindingDB Entry DOI: 10.7270/Q2445P5N
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens)
BDBM50206622
PNG
(CHEMBL3949189)
Show SMILES Cc1ccc(cc1Cl)-c1ccnc(n1)C(O)=O
Show InChI InChI=1S/C12H9ClN2O2/c1-7-2-3-8(6-9(7)13)10-4-5-14-11(15-10)12(16)17/h2-6H,1H3,(H,16,17)
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n/an/a 0.700n/an/an/an/an/an/a



Dr. Harisingh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens)
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 0.700n/an/an/an/an/an/a



Evotec (U.K.) Ltd

Curated by ChEMBL


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


J Med Chem 58: 1159-83 (2015)


Article DOI: 10.1021/jm501350y
BindingDB Entry DOI: 10.7270/Q2445P5N
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens)
BDBM50206630
PNG
(CHEMBL3922876)
Show SMILES OC(=O)c1nccc(n1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C11H6ClFN2O2/c12-7-5-6(1-2-8(7)13)9-3-4-14-10(15-9)11(16)17/h1-5H,(H,16,17)
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n/an/a 0.900n/an/an/an/an/an/a



Dr. Harisingh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens)
BDBM50072131
PNG
(CHEMBL3407914)
Show SMILES Cc1ccc(cc1F)-c1cc(ncn1)C(O)=O
Show InChI InChI=1S/C12H9FN2O2/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 0.900n/an/an/an/an/an/a



Evotec (U.K.) Ltd

Curated by ChEMBL


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


J Med Chem 58: 1159-83 (2015)


Article DOI: 10.1021/jm501350y
BindingDB Entry DOI: 10.7270/Q2445P5N
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens)
BDBM50072121
PNG
(CHEMBL3407902)
Show SMILES OC(=O)c1cc(ncn1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C11H6ClFN2O2/c12-7-3-6(1-2-8(7)13)9-4-10(11(16)17)15-5-14-9/h1-5H,(H,16,17)
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Evotec (U.K.) Ltd

Curated by ChEMBL


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


J Med Chem 58: 1159-83 (2015)


Article DOI: 10.1021/jm501350y
BindingDB Entry DOI: 10.7270/Q2445P5N
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens)
BDBM50206575
PNG
(CHEMBL3930333)
Show SMILES Cc1ccc(cc1F)-c1ccnc(n1)C(O)=O
Show InChI InChI=1S/C12H9FN2O2/c1-7-2-3-8(6-9(7)13)10-4-5-14-11(15-10)12(16)17/h2-6H,1H3,(H,16,17)
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n/an/a 0.900n/an/an/an/an/an/a



Dr. Harisingh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens)
BDBM50072136
PNG
(CHEMBL3407920)
Show SMILES COc1ccc(cc1Cl)-c1cc(ncn1)C(O)=O
Show InChI InChI=1S/C12H9ClN2O3/c1-18-11-3-2-7(4-8(11)13)9-5-10(12(16)17)15-6-14-9/h2-6H,1H3,(H,16,17)
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Evotec (U.K.) Ltd

Curated by ChEMBL


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


J Med Chem 58: 1159-83 (2015)


Article DOI: 10.1021/jm501350y
BindingDB Entry DOI: 10.7270/Q2445P5N
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens)
BDBM50206616
PNG
(CHEMBL3983459)
Show SMILES COc1ccc(cc1Cl)-c1ccnc(n1)C(O)=O
Show InChI InChI=1S/C12H9ClN2O3/c1-18-10-3-2-7(6-8(10)13)9-4-5-14-11(15-9)12(16)17/h2-6H,1H3,(H,16,17)
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Dr. Harisingh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens)
BDBM50072143
PNG
(CHEMBL3407924)
Show SMILES OC(=O)c1cc(ncn1)-c1ccc2occc2c1
Show InChI InChI=1S/C13H8N2O3/c16-13(17)11-6-10(14-7-15-11)8-1-2-12-9(5-8)3-4-18-12/h1-7H,(H,16,17)
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Evotec (U.K.) Ltd

Curated by ChEMBL


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


J Med Chem 58: 1159-83 (2015)


Article DOI: 10.1021/jm501350y
BindingDB Entry DOI: 10.7270/Q2445P5N
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Mus musculus)
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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Evotec (U.K.) Ltd

Curated by ChEMBL


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


J Med Chem 58: 1159-83 (2015)


Article DOI: 10.1021/jm501350y
BindingDB Entry DOI: 10.7270/Q2445P5N
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens)
BDBM50072175
PNG
(CHEMBL3407926)
Show SMILES OC(=O)c1cc(ncn1)-c1ccc(OC2COC2)c(Cl)c1
Show InChI InChI=1S/C14H11ClN2O4/c15-10-3-8(1-2-13(10)21-9-5-20-6-9)11-4-12(14(18)19)17-7-16-11/h1-4,7,9H,5-6H2,(H,18,19)
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Evotec (U.K.) Ltd

Curated by ChEMBL


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


J Med Chem 58: 1159-83 (2015)


Article DOI: 10.1021/jm501350y
BindingDB Entry DOI: 10.7270/Q2445P5N
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens)
BDBM50072101
PNG
(CHEMBL3407883)
Show SMILES Clc1ccc(cc1Cl)-c1cc(ncn1)-c1nn[nH]n1
Show InChI InChI=1S/C11H6Cl2N6/c12-7-2-1-6(3-8(7)13)9-4-10(15-5-14-9)11-16-18-19-17-11/h1-5H,(H,16,17,18,19)
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Evotec (U.K.) Ltd

Curated by ChEMBL


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


J Med Chem 58: 1159-83 (2015)


Article DOI: 10.1021/jm501350y
BindingDB Entry DOI: 10.7270/Q2445P5N
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens)
BDBM50206626
PNG
(CHEMBL3924368)
Show SMILES OC(=O)c1nccc(n1)-c1ccc(OC2COC2)c(Cl)c1
Show InChI InChI=1S/C14H11ClN2O4/c15-10-5-8(1-2-12(10)21-9-6-20-7-9)11-3-4-16-13(17-11)14(18)19/h1-5,9H,6-7H2,(H,18,19)
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Dr. Harisingh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
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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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


J Med Chem 58: 1159-83 (2015)


Article DOI: 10.1021/jm501350y
BindingDB Entry DOI: 10.7270/Q2445P5N
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens)
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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Evotec (U.K.) Ltd

Curated by ChEMBL


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


J Med Chem 58: 1159-83 (2015)


Article DOI: 10.1021/jm501350y
BindingDB Entry DOI: 10.7270/Q2445P5N
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens)
BDBM50206608
PNG
(CHEMBL3915370)
Show SMILES OC(=O)c1nccc(n1)-c1ccc(OC(F)(F)F)c(Cl)c1
Show InChI InChI=1S/C12H6ClF3N2O3/c13-7-5-6(1-2-9(7)21-12(14,15)16)8-3-4-17-10(18-8)11(19)20/h1-5H,(H,19,20)
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Dr. Harisingh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
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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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


J Med Chem 58: 1159-83 (2015)


Article DOI: 10.1021/jm501350y
BindingDB Entry DOI: 10.7270/Q2445P5N
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens)
BDBM50072092
PNG
(CHEMBL3407874)
Show SMILES OC(=O)c1cc(ccn1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C12H7Cl2NO2/c13-9-2-1-7(5-10(9)14)8-3-4-15-11(6-8)12(16)17/h1-6H,(H,16,17)
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Evotec (U.K.) Ltd

Curated by ChEMBL


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


J Med Chem 58: 1159-83 (2015)


Article DOI: 10.1021/jm501350y
BindingDB Entry DOI: 10.7270/Q2445P5N
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens)
BDBM50072092
PNG
(CHEMBL3407874)
Show SMILES OC(=O)c1cc(ccn1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C12H7Cl2NO2/c13-9-2-1-7(5-10(9)14)8-3-4-15-11(6-8)12(16)17/h1-6H,(H,16,17)
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Dr. Harisingh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
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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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


J Med Chem 58: 1159-83 (2015)


Article DOI: 10.1021/jm501350y
BindingDB Entry DOI: 10.7270/Q2445P5N
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens)
BDBM50131813
PNG
(CHEMBL3634599)
Show SMILES CC(Oc1cc2oc(=O)n(CCC(O)=O)c2cc1Cl)c1ccccn1
Show InChI InChI=1S/C17H15ClN2O5/c1-10(12-4-2-3-6-19-12)24-14-9-15-13(8-11(14)18)20(17(23)25-15)7-5-16(21)22/h2-4,6,8-10H,5,7H2,1H3,(H,21,22)
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Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kynurenine monooxygenase (unknown origin) by MS rapidfire assay


ACS Med Chem Lett 6: 954-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00274
BindingDB Entry DOI: 10.7270/Q2P55QBM
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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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


J Med Chem 58: 1159-83 (2015)


Article DOI: 10.1021/jm501350y
BindingDB Entry DOI: 10.7270/Q2445P5N
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens)
BDBM50072126
PNG
(CHEMBL3407908)
Show SMILES OC(=O)c1cc(ncn1)-c1ccc(c(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C12H6ClF3N2O2/c13-8-3-6(1-2-7(8)12(14,15)16)9-4-10(11(19)20)18-5-17-9/h1-5H,(H,19,20)
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Evotec (U.K.) Ltd

Curated by ChEMBL


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


J Med Chem 58: 1159-83 (2015)


Article DOI: 10.1021/jm501350y
BindingDB Entry DOI: 10.7270/Q2445P5N
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens)
BDBM50206601
PNG
(CHEMBL3939321)
Show SMILES OC(=O)c1nccc(n1)-c1ccc(c(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C12H6ClF3N2O2/c13-8-5-6(1-2-7(8)12(14,15)16)9-3-4-17-10(18-9)11(19)20/h1-5H,(H,19,20)
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Dr. Harisingh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Mus musculus)
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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Evotec (U.K.) Ltd

Curated by ChEMBL


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


J Med Chem 58: 1159-83 (2015)


Article DOI: 10.1021/jm501350y
BindingDB Entry DOI: 10.7270/Q2445P5N
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens)
BDBM50072095
PNG
(CHEMBL3407877)
Show SMILES OC(=O)c1ncnc(c1F)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C11H5Cl2FN2O2/c12-6-2-1-5(3-7(6)13)9-8(14)10(11(17)18)16-4-15-9/h1-4H,(H,17,18)
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Evotec (U.K.) Ltd

Curated by ChEMBL


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


J Med Chem 58: 1159-83 (2015)


Article DOI: 10.1021/jm501350y
BindingDB Entry DOI: 10.7270/Q2445P5N
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Mus musculus)
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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Evotec (U.K.) Ltd

Curated by ChEMBL


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


J Med Chem 58: 1159-83 (2015)


Article DOI: 10.1021/jm501350y
BindingDB Entry DOI: 10.7270/Q2445P5N
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens)
BDBM50072141
PNG
(CHEMBL3407921)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1cc(ncn1)C(O)=O
Show InChI InChI=1S/C14H13ClN2O3/c1-8(2)20-13-4-3-9(5-10(13)15)11-6-12(14(18)19)17-7-16-11/h3-8H,1-2H3,(H,18,19)
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Evotec (U.K.) Ltd

Curated by ChEMBL


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


J Med Chem 58: 1159-83 (2015)


Article DOI: 10.1021/jm501350y
BindingDB Entry DOI: 10.7270/Q2445P5N
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens)
BDBM50206570
PNG
(CHEMBL3965088)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1ccnc(n1)C(O)=O
Show InChI InChI=1S/C14H13ClN2O3/c1-8(2)20-12-4-3-9(7-10(12)15)11-5-6-16-13(17-11)14(18)19/h3-8H,1-2H3,(H,18,19)
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Dr. Harisingh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens)
BDBM50072095
PNG
(CHEMBL3407877)
Show SMILES OC(=O)c1ncnc(c1F)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C11H5Cl2FN2O2/c12-6-2-1-5(3-7(6)13)9-8(14)10(11(17)18)16-4-15-9/h1-4H,(H,17,18)
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n/an/a 6n/an/an/an/an/an/a



Dr. Harisingh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Mus musculus)
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 6.20n/an/an/an/an/an/a



Evotec (U.K.) Ltd

Curated by ChEMBL


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


J Med Chem 58: 1159-83 (2015)


Article DOI: 10.1021/jm501350y
BindingDB Entry DOI: 10.7270/Q2445P5N
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens)
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 8n/an/an/an/an/an/a



Evotec (U.K.) Ltd

Curated by ChEMBL


Assay Description
Inhibition of human KMO transfected in CHO cells assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis


J Med Chem 58: 1159-83 (2015)


Article DOI: 10.1021/jm501350y
BindingDB Entry DOI: 10.7270/Q2445P5N
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens)
BDBM50072098
PNG
(CHEMBL3407880)
Show SMILES Cc1c(ncnc1-c1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C12H8Cl2N2O2/c1-6-10(15-5-16-11(6)12(17)18)7-2-3-8(13)9(14)4-7/h2-5H,1H3,(H,17,18)
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n/an/a 10n/an/an/an/an/an/a



Evotec (U.K.) Ltd

Curated by ChEMBL


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


J Med Chem 58: 1159-83 (2015)


Article DOI: 10.1021/jm501350y
BindingDB Entry DOI: 10.7270/Q2445P5N
More data for this
Ligand-Target Pair
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