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Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50011646   
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


(Homo sapiens (Human))
BDBM50549700
PNG
(CHEMBL4740126)
Show SMILES OC(=O)c1cc(ncn1)-c1ccc(Cl)c(OC2CC2)c1
PDB

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n/an/a 0.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of KMO (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127753
BindingDB Entry DOI: 10.7270/Q2XK8K55
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
PDB

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n/an/a 1.70n/an/an/an/an/an/a


TBA

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...


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127753
BindingDB Entry DOI: 10.7270/Q2XK8K55
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
PDB

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n/an/a 1.90n/an/an/an/an/an/a


TBA

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...


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127753
BindingDB Entry DOI: 10.7270/Q2XK8K55
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
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n/an/a 2n/an/an/an/an/an/a


TBA

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...


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127753
BindingDB Entry DOI: 10.7270/Q2XK8K55
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 |r|
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


TBA

Assay Description
Inhibition of KMO (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127753
BindingDB Entry DOI: 10.7270/Q2XK8K55
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
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n/an/a 2.40n/an/an/an/an/an/a


TBA

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...


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127753
BindingDB Entry DOI: 10.7270/Q2XK8K55
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50549706
PNG
(CHEMBL4744083)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(nn1)-c1ccccc1N1CCCCC1
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n/an/a 3.30n/an/an/an/an/an/a


TBA

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...


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127753
BindingDB Entry DOI: 10.7270/Q2XK8K55
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Mus musculus)
BDBM50549704
PNG
(CHEMBL4764931)
Show SMILES CN(C)c1cccc(c1)S(=O)(=O)Nc1ccc(nn1)-c1ccccc1N1CCCC1
PDB

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n/an/a 3.30n/an/an/an/an/an/a


TBA

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...


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127753
BindingDB Entry DOI: 10.7270/Q2XK8K55
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Mus musculus)
BDBM50549714
PNG
(CHEMBL4762572)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(nn1)-c1ccccc1N1CCOCC1
PDB

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n/an/a 3.90n/an/an/an/an/an/a


TBA

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...


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127753
BindingDB Entry DOI: 10.7270/Q2XK8K55
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50549707
PNG
(CHEMBL4781856)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(nn1)-c1ccccc1N1CCCC1
PDB

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n/an/a 4.10n/an/an/an/an/an/a


TBA

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...


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127753
BindingDB Entry DOI: 10.7270/Q2XK8K55
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
PDB

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n/an/a 4.20n/an/an/an/an/an/a


TBA

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...


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127753
BindingDB Entry DOI: 10.7270/Q2XK8K55
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Mus musculus)
BDBM50549715
PNG
(CHEMBL4760680)
Show SMILES CN(C)c1ccccc1-c1ccc(NS(=O)(=O)c2ccc(C)cc2)nn1
PDB

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n/an/a 4.5n/an/an/an/an/an/a


TBA

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...


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127753
BindingDB Entry DOI: 10.7270/Q2XK8K55
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Mus musculus)
BDBM50549711
PNG
(CHEMBL4764672)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(nn1)-c1cccc2cccnc12
PDB

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n/an/a 8.70n/an/an/an/an/an/a


TBA

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...


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127753
BindingDB Entry DOI: 10.7270/Q2XK8K55
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Mus musculus)
BDBM50549700
PNG
(CHEMBL4740126)
Show SMILES OC(=O)c1cc(ncn1)-c1ccc(Cl)c(OC2CC2)c1
PDB

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n/an/a 8.70n/an/an/an/an/an/a


TBA

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...


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127753
BindingDB Entry DOI: 10.7270/Q2XK8K55
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Mus musculus)
BDBM50549705
PNG
(CHEMBL4756311)
Show SMILES CN1CCc2cccc(c12)-c1ccc(NS(=O)(=O)c2ccc(C)cc2)nn1
PDB

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n/an/a 17n/an/an/an/an/an/a


TBA

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...


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127753
BindingDB Entry DOI: 10.7270/Q2XK8K55
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Mus musculus)
BDBM50549708
PNG
(CHEMBL4776854)
Show SMILES CCc1ccccc1-c1ccc(NS(=O)(=O)c2ccc(C)cc2)nn1
PDB

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n/an/a 29n/an/an/an/an/an/a


TBA

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...


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127753
BindingDB Entry DOI: 10.7270/Q2XK8K55
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Mus musculus)
BDBM50549712
PNG
(CHEMBL4790147)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(nn1)-c1cccc2ccn(C)c12
PDB

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n/an/a 29n/an/an/an/an/an/a


TBA

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...


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127753
BindingDB Entry DOI: 10.7270/Q2XK8K55
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Mus musculus)
BDBM50549719
PNG
(CHEMBL4762842)
Show SMILES CN(C)c1cccc(c1)S(=O)(=O)Nc1ccc(nn1)-c1cccc(Cl)c1
PDB

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n/an/a 32n/an/an/an/an/an/a


TBA

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...


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127753
BindingDB Entry DOI: 10.7270/Q2XK8K55
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Mus musculus)
BDBM50549701
PNG
(CHEMBL4745247)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ncc(s1)-c1cccc(c1)[N+]([O-])=O
PDB

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n/an/a 34n/an/an/an/an/an/a


TBA

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...


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127753
BindingDB Entry DOI: 10.7270/Q2XK8K55
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50549701
PNG
(CHEMBL4745247)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ncc(s1)-c1cccc(c1)[N+]([O-])=O
PDB

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n/an/a 37n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of KMO (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127753
BindingDB Entry DOI: 10.7270/Q2XK8K55
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Mus musculus)
BDBM50549709
PNG
(CHEMBL4743950)
Show SMILES COc1ccccc1-c1ccc(NS(=O)(=O)c2ccc(C)cc2)nn1
PDB

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n/an/a 37n/an/an/an/an/an/a


TBA

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...


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127753
BindingDB Entry DOI: 10.7270/Q2XK8K55
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50126147
PNG
(CHEMBL3629571)
Show SMILES OC(=O)C1CC1C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C11H8Cl2O3/c12-8-2-1-5(3-9(8)13)10(14)6-4-7(6)11(15)16/h1-3,6-7H,4H2,(H,15,16)
PDB

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Article
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n/an/a 40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of KMO (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127753
BindingDB Entry DOI: 10.7270/Q2XK8K55
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Mus musculus)
BDBM50549710
PNG
(CHEMBL4745015)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(nn1)-c1cccc2ccncc12
PDB

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n/an/a 47n/an/an/an/an/an/a


TBA

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...


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127753
BindingDB Entry DOI: 10.7270/Q2XK8K55
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50549701
PNG
(CHEMBL4745247)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ncc(s1)-c1cccc(c1)[N+]([O-])=O
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n/an/a 78n/an/an/an/an/an/a


TBA

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...


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127753
BindingDB Entry DOI: 10.7270/Q2XK8K55
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Mus musculus)
BDBM50549716
PNG
(CHEMBL4749459)
Show SMILES CN(C)c1cccc(c1)-c1ccc(NS(=O)(=O)c2ccc(C)cc2)nn1
PDB

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n/an/a 83n/an/an/an/an/an/a


TBA

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...


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127753
BindingDB Entry DOI: 10.7270/Q2XK8K55
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Mus musculus)
BDBM50549713
PNG
(CHEMBL4790669)
Show SMILES CN1CCN(CC1)c1ccccc1-c1ccc(NS(=O)(=O)c2ccc(C)cc2)nn1
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n/an/a>100n/an/an/an/an/an/a


TBA

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...


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127753
BindingDB Entry DOI: 10.7270/Q2XK8K55
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Mus musculus)
BDBM50549721
PNG
(CHEMBL4791546)
Show SMILES Cc1cccc(c1)S(=O)(=O)Nc1ccc(nn1)-c1cccc(Cl)c1
PDB

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n/an/a 101n/an/an/an/an/an/a


TBA

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...


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127753
BindingDB Entry DOI: 10.7270/Q2XK8K55
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Mus musculus)
BDBM50549718
PNG
(CHEMBL4784999)
Show SMILES CN(C)c1ccccc1S(=O)(=O)Nc1ccc(nn1)-c1cccc(Cl)c1
PDB

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n/an/a 118n/an/an/an/an/an/a


TBA

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...


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127753
BindingDB Entry DOI: 10.7270/Q2XK8K55
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Mus musculus)
BDBM50549720
PNG
(CHEMBL4763938)
Show SMILES CN(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(nn1)-c1cccc(Cl)c1
PDB

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n/an/a 402n/an/an/an/an/an/a


TBA

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...


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127753
BindingDB Entry DOI: 10.7270/Q2XK8K55
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Mus musculus)
BDBM50549717
PNG
(CHEMBL4751196)
Show SMILES CN(C)c1ccc(cc1)-c1ccc(NS(=O)(=O)c2ccc(C)cc2)nn1
PDB

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n/an/a 546n/an/an/an/an/an/a


TBA

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...


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127753
BindingDB Entry DOI: 10.7270/Q2XK8K55
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50549703
PNG
(CHEMBL4750377)
Show SMILES Cc1cc2OCC(=O)N(CC(O)=O)c2c(C)c1Cl
PDB

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n/an/a 2.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human KMO using L-kynurenine as substrate incubated for 25 mins in presence of NADPH by microplate reader based assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127753
BindingDB Entry DOI: 10.7270/Q2XK8K55
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Mus musculus)
BDBM50549702
PNG
(CHEMBL4752276)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1nc(CN2CCCCC2)c(s1)-c1cccc(c1)[N+]([O-])=O
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127753
BindingDB Entry DOI: 10.7270/Q2XK8K55
More data for this
Ligand-Target Pair