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Compile Data Set for Download or QSAR

Found 474 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50266064
PNG
(CHEMBL4104310)
Show SMILES OC(=O)CCn1c2cc(Cl)c(OCc3ccccn3)cc2oc1=O
Show InChI InChI=1S/C16H13ClN2O5/c17-11-7-12-14(24-16(22)19(12)6-4-15(20)21)8-13(11)23-9-10-3-1-2-5-18-10/h1-3,5,7-8H,4,6,9H2,(H,20,21)
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full length human GST-tagged KMO expressed in baculovirus infected Sf9 insect cell membranes using kynurenine as substrate measured aft...


J Med Chem 60: 3383-3404 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00055
BindingDB Entry DOI: 10.7270/Q26112SB
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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4.80n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

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)
BDBM50266003
PNG
(CHEMBL4091152)
Show SMILES C[C@@H](Oc1cc2onc(CCC(O)=O)c2cc1Cl)c1ccccn1
Show InChI InChI=1S/C17H15ClN2O4/c1-10(13-4-2-3-7-19-13)23-16-9-15-11(8-12(16)18)14(20-24-15)5-6-17(21)22/h2-4,7-10H,5-6H2,1H3,(H,21,22)/t10-/m1/s1
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45n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of rat KMO expressed in HEK293 cells using kynurenine as substrate measured after 20 hrs by LC-MS/MS analysis


J Med Chem 60: 3383-3404 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00055
BindingDB Entry DOI: 10.7270/Q26112SB
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50266003
PNG
(CHEMBL4091152)
Show SMILES C[C@@H](Oc1cc2onc(CCC(O)=O)c2cc1Cl)c1ccccn1
Show InChI InChI=1S/C17H15ClN2O4/c1-10(13-4-2-3-7-19-13)23-16-9-15-11(8-12(16)18)14(20-24-15)5-6-17(21)22/h2-4,7-10H,5-6H2,1H3,(H,21,22)/t10-/m1/s1
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50n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Competitive inhibition of full length human GST-tagged KMO expressed in baculovirus infected Sf9 insect cell membranes using kynurenine as substrate ...


J Med Chem 60: 3383-3404 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00055
BindingDB Entry DOI: 10.7270/Q26112SB
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 Inc

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 (Human))
BDBM50266041
PNG
(CHEMBL4070212)
Show SMILES C[C@@H](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)/t10-/m1/s1
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full length human GST-tagged KMO expressed in baculovirus infected Sf9 insect cell membranes using kynurenine as substrate measured aft...


J Med Chem 60: 3383-3404 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00055
BindingDB Entry DOI: 10.7270/Q26112SB
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
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. Hari Singh 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 (Human))
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. Hari Singh 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 (Human))
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 (UK) 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 (Human))
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 (UK) 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 (Human))
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. Hari Singh 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 (Human))
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. Hari Singh 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 (Human))
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 (UK) 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 (Human))
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 (UK) 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 (Human))
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 (UK) 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 (Human))
BDBM50549700
PNG
(CHEMBL4740126)
Show SMILES OC(=O)c1cc(ncn1)-c1ccc(Cl)c(OC2CC2)c1
Show InChI InChI=1S/C14H11ClN2O3/c15-10-4-1-8(5-13(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



Sumitomo Dainippon Pharma. Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KMO (unknown origin)


Bioorg Med Chem Lett 33: (2021)

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


(Homo sapiens (Human))
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. Hari Singh 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 (Human))
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. Hari Singh 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 (Human))
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 (Human))
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 (UK) 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 (Human))
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. Hari Singh 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 (Human))
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 (UK) 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 (Human))
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 (UK) 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 (Human))
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. Hari Singh 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 (Human))
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 (UK) 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 (Human))
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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Dr. Hari Singh 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 (Human))
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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Evotec (UK) 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 (Human))
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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Dr. Hari Singh 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 (Human))
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. Hari Singh 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 (Human))
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 (UK) 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 (Human))
BDBM50131810
PNG
(CHEMBL3634602)
Show SMILES C[C@@H](Oc1cc2oc(=O)n(CCC(O)=O)c2cc1Cl)c1cccnn1
Show InChI InChI=1S/C16H14ClN3O5/c1-9(11-3-2-5-18-19-11)24-13-8-14-12(7-10(13)17)20(16(23)25-14)6-4-15(21)22/h2-3,5,7-9H,4,6H2,1H3,(H,21,22)/t9-/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full length human GST-tagged KMO expressed in baculovirus infected Sf9 insect cell membranes using kynurenine as substrate measured aft...


J Med Chem 60: 3383-3404 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00055
BindingDB Entry DOI: 10.7270/Q26112SB
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
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 (UK) 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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n/an/a 1.5n/an/an/an/an/an/a



Evotec (UK) 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 (Human))
BDBM50266097
PNG
(CHEMBL4062730)
Show SMILES NC(CO)(CO)CO.C[C@@H](Oc1cc2onc(CCC(O)=O)c2cc1Cl)c1ccc(C)cn1
Show InChI InChI=1S/C18H17ClN2O4.C4H11NO3/c1-10-3-4-14(20-9-10)11(2)24-17-8-16-12(7-13(17)19)15(21-25-16)5-6-18(22)23;5-4(1-6,2-7)3-8/h3-4,7-9,11H,5-6H2,1-2H3,(H,22,23);6-8H,1-3,5H2/t11-;/m1./s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full length human KMO expressed in HEK293 cells using kynurenine as substrate measured after 20 hrs by LC-MS/MS analysis


J Med Chem 60: 3383-3404 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00055
BindingDB Entry DOI: 10.7270/Q26112SB
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Mus musculus)
BDBM50549707
PNG
(CHEMBL4781856)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(nn1)-c1ccccc1N1CCCC1
Show InChI InChI=1S/C21H22N4O2S/c1-16-8-10-17(11-9-16)28(26,27)24-21-13-12-19(22-23-21)18-6-2-3-7-20(18)25-14-4-5-15-25/h2-3,6-13H,4-5,14-15H2,1H3,(H,23,24)
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Sumitomo Dainippon Pharma. Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of mouse liver mitochondrial KMO by measuring the 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 mins follow...


Bioorg Med Chem Lett 33: (2021)

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


(Homo sapiens (Human))
BDBM50549704
PNG
(CHEMBL4764931)
Show SMILES CN(C)c1cccc(c1)S(=O)(=O)Nc1ccc(nn1)-c1ccccc1N1CCCC1
Show InChI InChI=1S/C22H25N5O2S/c1-26(2)17-8-7-9-18(16-17)30(28,29)25-22-13-12-20(23-24-22)19-10-3-4-11-21(19)27-14-5-6-15-27/h3-4,7-13,16H,5-6,14-15H2,1-2H3,(H,24,25)
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Sumitomo Dainippon Pharma. Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human liver mitochondrial KMO by measuring the 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 mins follow...


Bioorg Med Chem Lett 33: (2021)

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


(Homo sapiens (Human))
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. Hari Singh 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 (Human))
BDBM50266002
PNG
(CHEMBL4081917)
Show SMILES C[C@@H](Oc1cc2onc(CCC(O)=O)c2cc1Cl)c1ccc(C)nn1
Show InChI InChI=1S/C17H16ClN3O4/c1-9-3-4-13(20-19-9)10(2)24-16-8-15-11(7-12(16)18)14(21-25-15)5-6-17(22)23/h3-4,7-8,10H,5-6H2,1-2H3,(H,22,23)/t10-/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full length human GST-tagged KMO expressed in baculovirus infected Sf9 insect cell membranes using kynurenine as substrate measured aft...


J Med Chem 60: 3383-3404 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00055
BindingDB Entry DOI: 10.7270/Q26112SB
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50549705
PNG
(CHEMBL4756311)
Show SMILES CN1CCc2cccc(c12)-c1ccc(NS(=O)(=O)c2ccc(C)cc2)nn1
Show InChI InChI=1S/C20H20N4O2S/c1-14-6-8-16(9-7-14)27(25,26)23-19-11-10-18(21-22-19)17-5-3-4-15-12-13-24(2)20(15)17/h3-11H,12-13H2,1-2H3,(H,22,23)
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Sumitomo Dainippon Pharma. Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human liver mitochondrial KMO by measuring the 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 mins follow...


Bioorg Med Chem Lett 33: (2021)

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


(Homo sapiens (Human))
BDBM50266065
PNG
(CHEMBL4084414)
Show SMILES C[C@@H](Oc1cc2sc(=O)n(CCC(O)=O)c2cc1Cl)c1ccccn1
Show InChI InChI=1S/C17H15ClN2O4S/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)/t10-/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full length human GST-tagged KMO expressed in baculovirus infected Sf9 insect cell membranes using kynurenine as substrate measured aft...


J Med Chem 60: 3383-3404 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00055
BindingDB Entry DOI: 10.7270/Q26112SB
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
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 (UK) 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 (Human))
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 (UK) 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


(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 (UK) 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 (Human))
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 2.10n/an/an/an/an/an/a



Evotec (UK) 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 (Human))
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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n/an/a 2.10n/an/an/an/an/an/a



Dr. Hari Singh 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 (Human))
BDBM50266003
PNG
(CHEMBL4091152)
Show SMILES C[C@@H](Oc1cc2onc(CCC(O)=O)c2cc1Cl)c1ccccn1
Show InChI InChI=1S/C17H15ClN2O4/c1-10(13-4-2-3-7-19-13)23-16-9-15-11(8-12(16)18)14(20-24-15)5-6-17(21)22/h2-4,7-10H,5-6H2,1H3,(H,21,22)/t10-/m1/s1
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n/an/a 2.30n/an/an/an/an/an/a



Sumitomo Dainippon Pharma. Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KMO (unknown origin)


Bioorg Med Chem Lett 33: (2021)

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


(Mus musculus)
BDBM50549706
PNG
(CHEMBL4744083)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(nn1)-c1ccccc1N1CCCCC1
Show InChI InChI=1S/C22H24N4O2S/c1-17-9-11-18(12-10-17)29(27,28)25-22-14-13-20(23-24-22)19-7-3-4-8-21(19)26-15-5-2-6-16-26/h3-4,7-14H,2,5-6,15-16H2,1H3,(H,24,25)
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n/an/a 2.40n/an/an/an/an/an/a



Sumitomo Dainippon Pharma. Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of mouse liver mitochondrial KMO by measuring the 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 mins follow...


Bioorg Med Chem Lett 33: (2021)

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


(Homo sapiens (Human))
BDBM50266033
PNG
(CHEMBL4070050)
Show SMILES NC(CO)(CO)CO.C[C@@H](Oc1cc2oc(=O)n(CCC(O)=O)c2cc1Cl)c1ccccn1
Show InChI InChI=1S/C17H15ClN2O5.C4H11NO3/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;5-4(1-6,2-7)3-8/h2-4,6,8-10H,5,7H2,1H3,(H,21,22);6-8H,1-3,5H2/t10-;/m1./s1
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n/an/a 2.5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full length human GST-tagged KMO expressed in baculovirus infected Sf9 insect cell membranes using kynurenine as substrate measured aft...


J Med Chem 60: 3383-3404 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00055
BindingDB Entry DOI: 10.7270/Q26112SB
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50266116
PNG
(CHEMBL4077245)
Show SMILES NC(CO)(CO)CO.C[C@@H](Oc1cc2oc(=O)n(CCC(O)=O)c2cc1Cl)c1ccc(F)cn1
Show InChI InChI=1S/C17H14ClFN2O5.C4H11NO3/c1-9(12-3-2-10(19)8-20-12)25-14-7-15-13(6-11(14)18)21(17(24)26-15)5-4-16(22)23;5-4(1-6,2-7)3-8/h2-3,6-9H,4-5H2,1H3,(H,22,23);6-8H,1-3,5H2/t9-;/m1./s1
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n/an/a 2.5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full length human GST-tagged KMO expressed in baculovirus infected Sf9 insect cell membranes using kynurenine as substrate measured aft...


J Med Chem 60: 3383-3404 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00055
BindingDB Entry DOI: 10.7270/Q26112SB
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50266002
PNG
(CHEMBL4081917)
Show SMILES C[C@@H](Oc1cc2onc(CCC(O)=O)c2cc1Cl)c1ccc(C)nn1
Show InChI InChI=1S/C17H16ClN3O4/c1-9-3-4-13(20-19-9)10(2)24-16-8-15-11(7-12(16)18)14(21-25-15)5-6-17(22)23/h3-4,7-8,10H,5-6H2,1-2H3,(H,22,23)/t10-/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full length human KMO expressed in HEK293 cells using kynurenine as substrate measured after 20 hrs by LC-MS/MS analysis


J Med Chem 60: 3383-3404 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00055
BindingDB Entry DOI: 10.7270/Q26112SB
More data for this
Ligand-Target Pair
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