BDBM50056709 CHEMBL3326969

SMILES: NC(CO)(CO)CO.COc1ccc(cc1)-n1cc(CCc2ccccc2)c2cc(CCC(O)=O)ccc12

InChI Key: InChIKey=QMVJCYVXDYRAAS-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 = 50056709   

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))	BDBM50056709 (CHEMBL3326969) Show SMILES NC(CO)(CO)CO.COc1ccc(cc1)-n1cc(CCc2ccccc2)c2cc(CCC(O)=O)ccc12 Show InChI InChI=1S/C26H25NO3/c1-30-23-13-11-22(12-14-23)27-18-21(10-7-19-5-3-2-4-6-19)24-17-20(8-15-25(24)27)9-16-26(28)29/h2-6,8,11-15,17-18H,7,9-10,16H2,1H3,(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	26	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