BDBM50246879 CHEMBL4066748

SMILES: CC(=O)NCc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccc(Cl)c(c2)C(F)(F)F)c(c1)C#N

InChI Key: InChIKey=LMBIEPYIKSHXNO-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 = 50246879   

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))	BDBM50246879 (CHEMBL4066748) Show SMILES CC(=O)NCc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccc(Cl)c(c2)C(F)(F)F)c(c1)C#N Show InChI InChI=1S/C23H17ClF3N3O4S/c1-14(31)29-13-15-2-6-19(7-3-15)35(32,33)30-17-4-9-22(16(10-17)12-28)34-18-5-8-21(24)20(11-18)23(25,26)27/h2-11,30H,13H2,1H3,(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	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
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