BDBM50433658 CHEMBL2380957

SMILES: CCN(CC)CCCCc1nnc(Cn2c3CCCc3c(=O)nc2SCc2ccc(F)cc2)n1Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=XNVHCNKXIHKJHK-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 = 50433658   

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
LDL-associated phospholipase A2 (Homo sapiens (Human))	BDBM50433658 (CHEMBL2380957) Show SMILES CCN(CC)CCCCc1nnc(Cn2c3CCCc3c(=O)nc2SCc2ccc(F)cc2)n1Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C39H42F4N6OS/c1-3-47(4-2)23-6-5-10-35-45-46-36(49(35)24-27-11-15-29(16-12-27)30-17-19-31(20-18-30)39(41,42)43)25-48-34-9-7-8-33(34)37(50)44-38(48)51-26-28-13-21-32(40)22-14-28/h11-22H,3-10,23-26H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human Lp-PLA2 using [3H]PAF as substrate at 10 nM incubated for 5 mins prior to substrate addition measured after 10 mins b...				Bioorg Med Chem Lett 23: 2897-901 (2013) Article DOI: 10.1016/j.bmcl.2013.03.062 BindingDB Entry DOI: 10.7270/Q2KW5HFS
					More data for this Ligand-Target Pair