BDBM50433667 CHEMBL2380965

SMILES: CN(C)CCN(C)Cc1nnc(Cn2c3CCCc3c(=O)nc2SCc2ccc(F)cc2)n1Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=RNJYCRPQQBPATH-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 = 50433667   

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))	BDBM50433667 (CHEMBL2380965) Show SMILES CN(C)CCN(C)Cc1nnc(Cn2c3CCCc3c(=O)nc2SCc2ccc(F)cc2)n1Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C37H39F4N7OS/c1-45(2)19-20-46(3)22-33-43-44-34(48(33)21-25-7-11-27(12-8-25)28-13-15-29(16-14-28)37(39,40)41)23-47-32-6-4-5-31(32)35(49)42-36(47)50-24-26-9-17-30(38)18-10-26/h7-18H,4-6,19-24H2,1-3H3	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	0.140	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