BDBM50266068 CHEMBL4059840

SMILES: NC(CO)(CO)CO.OC(=O)CCn1c2cc(Cl)c(OCc3ccccc3)cc2oc1=O

InChI Key: InChIKey=GTJRCPBOWQKMQU-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 = 50266068   

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))	BDBM50266068 (CHEMBL4059840) Show SMILES NC(CO)(CO)CO.OC(=O)CCn1c2cc(Cl)c(OCc3ccccc3)cc2oc1=O Show InChI InChI=1S/C17H14ClNO5/c18-12-8-13-15(24-17(22)19(13)7-6-16(20)21)9-14(12)23-10-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.59E+3	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))	BDBM50266068 (CHEMBL4059840) Show SMILES NC(CO)(CO)CO.OC(=O)CCn1c2cc(Cl)c(OCc3ccccc3)cc2oc1=O Show InChI InChI=1S/C17H14ClNO5/c18-12-8-13-15(24-17(22)19(13)7-6-16(20)21)9-14(12)23-10-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	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