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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Kynurenine 3-monooxygenase' and Ligand = 'BDBM50131814'   
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))
BDBM50131814
PNG
(CHEMBL3634598)
Show SMILES Cc1cc2oc(=O)n(CCC(O)=O)c2cc1Cl
Show InChI InChI=1S/C11H10ClNO4/c1-6-4-9-8(5-7(6)12)13(11(16)17-9)3-2-10(14)15/h4-5H,2-3H2,1H3,(H,14,15)
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n/an/a 13n/an/an/an/an/an/a



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)


BindingDB Entry DOI: 10.7270/Q2P55QBM
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50131814
PNG
(CHEMBL3634598)
Show SMILES Cc1cc2oc(=O)n(CCC(O)=O)c2cc1Cl
Show InChI InChI=1S/C11H10ClNO4/c1-6-4-9-8(5-7(6)12)13(11(16)17-9)3-2-10(14)15/h4-5H,2-3H2,1H3,(H,14,15)
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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




J Med Chem 60: 3383-3404 (2017)


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


(Homo sapiens (Human))
BDBM50131814
PNG
(CHEMBL3634598)
Show SMILES Cc1cc2oc(=O)n(CCC(O)=O)c2cc1Cl
Show InChI InChI=1S/C11H10ClNO4/c1-6-4-9-8(5-7(6)12)13(11(16)17-9)3-2-10(14)15/h4-5H,2-3H2,1H3,(H,14,15)
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UniChem
Article
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n/an/a 631n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




J Med Chem 60: 3383-3404 (2017)


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