BDBM50056714 CHEMBL3326964

SMILES: NC(CO)(CO)CO.OC(=O)CCc1ccc2c(CCc3ccccc3)cn(-c3ccccc3)c2c1

InChI Key: InChIKey=GZEVVJRFHRRVCS-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 = 50056714   

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
cPLA2 C2 (Homo sapiens (Human))	BDBM50056714 (CHEMBL3326964) Show SMILES NC(CO)(CO)CO.OC(=O)CCc1ccc2c(CCc3ccccc3)cn(-c3ccccc3)c2c1 Show InChI InChI=1S/C25H23NO2/c27-25(28)16-13-20-12-15-23-21(14-11-19-7-3-1-4-8-19)18-26(24(23)17-20)22-9-5-2-6-10-22/h1-10,12,15,17-18H,11,13-14,16H2,(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Asubio Pharma Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of cPLA2alpha isolated from human U937 cell cytoplasm assessed as suppression of [14C]arachidonic acid release from L-alpha-1-palmitoyl-2-...				J Med Chem 57: 7244-62 (2014) Article DOI: 10.1021/jm500494y BindingDB Entry DOI: 10.7270/Q2F47QSP
					More data for this Ligand-Target Pair