BDBM50246878 CHEMBL4088985

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

InChI Key: InChIKey=GADGQEKPNKSGMT-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 = 50246878   

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))	BDBM50246878 (CHEMBL4088985) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccc(Cl)c(c2)C(F)(F)F)c(c1)C#N Show InChI InChI=1S/C20H13ClF3N3O3S/c21-18-7-4-15(10-17(18)20(22,23)24)30-19-8-3-14(9-12(19)11-25)27-31(28,29)16-5-1-13(26)2-6-16/h1-10,27H,26H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	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