BDBM50246880 CHEMBL4088042

SMILES: FC(F)(F)c1cc(Oc2ccc(NS(=O)(=O)c3ccc(NC(=O)N4CCOCC4)cc3)cc2C#N)ccc1Cl

InChI Key: InChIKey=NCVCUVBVPPKJDO-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 = 50246880   

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))	BDBM50246880 (CHEMBL4088042) Show SMILES FC(F)(F)c1cc(Oc2ccc(NS(=O)(=O)c3ccc(NC(=O)N4CCOCC4)cc3)cc2C#N)ccc1Cl Show InChI InChI=1S/C25H20ClF3N4O5S/c26-22-7-4-19(14-21(22)25(27,28)29)38-23-8-3-18(13-16(23)15-30)32-39(35,36)20-5-1-17(2-6-20)31-24(34)33-9-11-37-12-10-33/h1-8,13-14,32H,9-12H2,(H,31,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged Lp-PLA2 (47 to 429 residues) expressed in Escherichia coli Rosetta(DE3) pLysS using 2-thio-PAF as substrat...				J Med Chem 60: 10231-10244 (2017) Article DOI: 10.1021/acs.jmedchem.7b01530 BindingDB Entry DOI: 10.7270/Q2959M00
					More data for this Ligand-Target Pair