BDBM50266014 CHEMBL4068504

SMILES: NC(CO)(CO)CO.COCCOc1cc2oc(=O)n(CCC(O)=O)c2cc1Cl

InChI Key: InChIKey=JKHHENDLKYIXQJ-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 = 50266014   

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))	BDBM50266014 (CHEMBL4068504) Show SMILES NC(CO)(CO)CO.COCCOc1cc2oc(=O)n(CCC(O)=O)c2cc1Cl Show InChI InChI=1S/C13H14ClNO6/c1-19-4-5-20-10-7-11-9(6-8(10)14)15(13(18)21-11)3-2-12(16)17/h6-7H,2-5H2,1H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01E+4	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50266014 (CHEMBL4068504) Show SMILES NC(CO)(CO)CO.COCCOc1cc2oc(=O)n(CCC(O)=O)c2cc1Cl Show InChI InChI=1S/C13H14ClNO6/c1-19-4-5-20-10-7-11-9(6-8(10)14)15(13(18)21-11)3-2-12(16)17/h6-7H,2-5H2,1H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/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