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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 = 'BDBM50266104'   
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))
BDBM50266104
PNG
(CHEMBL4085877)
Show SMILES C[C@@H](Oc1cc2ccn(CCC(O)=O)c2cc1Cl)c1ccccn1 |r|
Show InChI InChI=1S/C18H17ClN2O3/c1-12(15-4-2-3-7-20-15)24-17-10-13-5-8-21(9-6-18(22)23)16(13)11-14(17)19/h2-5,7-8,10-12H,6,9H2,1H3,(H,22,23)/t12-/m1/s1
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PC cid
PC sid
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n/an/a 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))
BDBM50266104
PNG
(CHEMBL4085877)
Show SMILES C[C@@H](Oc1cc2ccn(CCC(O)=O)c2cc1Cl)c1ccccn1 |r|
Show InChI InChI=1S/C18H17ClN2O3/c1-12(15-4-2-3-7-20-15)24-17-10-13-5-8-21(9-6-18(22)23)16(13)11-14(17)19/h2-5,7-8,10-12H,6,9H2,1H3,(H,22,23)/t12-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 25n/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