BDBM50072141 CHEMBL3407921

SMILES: CC(C)Oc1ccc(cc1Cl)-c1cc(ncn1)C(O)=O

InChI Key: InChIKey=WWIJIMDOMQMPAS-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50072141   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50072141 (CHEMBL3407921) Show SMILES CC(C)Oc1ccc(cc1Cl)-c1cc(ncn1)C(O)=O Show InChI InChI=1S/C14H13ClN2O3/c1-8(2)20-13-4-3-9(5-10(13)15)11-6-12(14(18)19)17-7-16-11/h3-8H,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50072141 (CHEMBL3407921) Show SMILES CC(C)Oc1ccc(cc1Cl)-c1cc(ncn1)C(O)=O Show InChI InChI=1S/C14H13ClN2O3/c1-8(2)20-13-4-3-9(5-10(13)15)11-6-12(14(18)19)17-7-16-11/h3-8H,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/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