BDBM50056728 CHEMBL3326950

SMILES: NC(CO)(CO)CO.OC(=O)CCc1ccc2n(cc(CCc3ccc(F)cc3)c2c1)-c1ccccc1

InChI Key: InChIKey=QDTLYNYOHLCCJR-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 = 50056728   

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))	BDBM50056728 (CHEMBL3326950) Show SMILES NC(CO)(CO)CO.OC(=O)CCc1ccc2n(cc(CCc3ccc(F)cc3)c2c1)-c1ccccc1 Show InChI InChI=1S/C25H22FNO2/c26-21-12-7-18(8-13-21)6-11-20-17-27(22-4-2-1-3-5-22)24-14-9-19(16-23(20)24)10-15-25(28)29/h1-5,7-9,12-14,16-17H,6,10-11,15H2,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	570	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