BDBM50246897 CHEMBL4070470

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

InChI Key: InChIKey=LHWOZAIMFGXCRL-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50246897   

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))	BDBM50246897 (CHEMBL4070470) Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccc(C#N)c(c2)C(F)(F)F)c(c1)C#N Show InChI InChI=1S/C23H15F3N4O4S/c1-14(31)29-17-3-7-20(8-4-17)35(32,33)30-18-5-9-22(16(10-18)13-28)34-19-6-2-15(12-27)21(11-19)23(24,25)26/h2-11,30H,1H3,(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	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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