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BDBM50072094 CHEMBL3407876

SMILES: Cc1nc(cc(n1)-c1ccc(Cl)c(Cl)c1)C(O)=O

InChI Key: InChIKey=MEHYKBDPIZEBAD-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50072094   
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))
BDBM50072094
PNG
(CHEMBL3407876)
Show SMILES Cc1nc(cc(n1)-c1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C12H8Cl2N2O2/c1-6-15-10(5-11(16-6)12(17)18)7-2-3-8(13)9(14)4-7/h2-5H,1H3,(H,17,18)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 300n/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
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50072094
PNG
(CHEMBL3407876)
Show SMILES Cc1nc(cc(n1)-c1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C12H8Cl2N2O2/c1-6-15-10(5-11(16-6)12(17)18)7-2-3-8(13)9(14)4-7/h2-5H,1H3,(H,17,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/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