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SMILES: NC(CO)(CO)CO.C[C@@H](Oc1cc2oc(=O)n(CCC(O)=O)c2cc1Cl)c1ccccn1

InChI Key: InChIKey=FJIAIVWJYPSIBO-HNCPQSOCSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50266033   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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 |r|
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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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 200n/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
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 |r|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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