BDBM50197678 CHEMBL3942332

SMILES: CC(C)C1CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1

InChI Key: InChIKey=CRIPZRCWOGTJKM-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 = 50197678   

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))	BDBM50197678 (CHEMBL3942332) Show SMILES CC(C)C1CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1 Show InChI InChI=1S/C16H19FN2O2/c1-11(2)13-8-16(20)19(10-13)5-6-21-14-3-4-15(17)12(7-14)9-18/h3-4,7,11,13H,5-6,8,10H2,1-2H3	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	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant human Lp-PLA2 incubated for 20 mins by Thio-PAF assay				J Med Chem 59: 10738-10749 (2016) Article DOI: 10.1021/acs.jmedchem.6b01427 BindingDB Entry DOI: 10.7270/Q27946ND
					More data for this Ligand-Target Pair