BDBM50238002 CHEMBL4064480

SMILES: NC(CO)(CO)CO.Cc1cc(Cl)cc2[nH]c(=O)oc12

InChI Key: InChIKey=WBBSTFQOSDNXDO-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50238002   

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))	BDBM50238002 (CHEMBL4064480) Show SMILES NC(CO)(CO)CO.Cc1cc(Cl)cc2[nH]c(=O)oc12 Show InChI InChI=1S/C8H6ClNO2/c1-4-2-5(9)3-6-7(4)12-8(11)10-6/h2-3H,1H3,(H,10,11)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Compound was tested for opioid receptor delta 1 agonism or antagonism in mouse vas deferens				Bioorg Med Chem Lett 27: 2023-2028 (2017) Article DOI: 10.1016/j.bmcl.2017.02.078 BindingDB Entry DOI: 10.7270/Q23R0W54
					More data for this Ligand-Target Pair