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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kynurenine 3-monooxygenase' and Ligand = 'BDBM50072142'   
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))
BDBM50072142
PNG
(CHEMBL3407923)
Show SMILES OC(=O)c1cc(ncn1)-c1ccc(OCC2CC2)c(Cl)c1
Show InChI InChI=1S/C15H13ClN2O3/c16-11-5-10(3-4-14(11)21-7-9-1-2-9)12-6-13(15(19)20)18-8-17-12/h3-6,8-9H,1-2,7H2,(H,19,20)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 49n/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 (Human))
BDBM50072142
PNG
(CHEMBL3407923)
Show SMILES OC(=O)c1cc(ncn1)-c1ccc(OCC2CC2)c(Cl)c1
Show InChI InChI=1S/C15H13ClN2O3/c16-11-5-10(3-4-14(11)21-7-9-1-2-9)12-6-13(15(19)20)18-8-17-12/h3-6,8-9H,1-2,7H2,(H,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 270n/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