BDBM50132814 CHEMBL3634545

SMILES: COc1ncc(cn1)-c1cnc2nc(OCc3ccc(Oc4ccc(Cl)c(c4)C(F)(F)F)cc3)ccn12

InChI Key: InChIKey=WPDBBEPOSDFSPH-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 = 50132814   

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))	BDBM50132814 (CHEMBL3634545) Show SMILES COc1ncc(cn1)-c1cnc2nc(OCc3ccc(Oc4ccc(Cl)c(c4)C(F)(F)F)cc3)ccn12 Show InChI InChI=1S/C25H17ClF3N5O3/c1-35-24-31-11-16(12-32-24)21-13-30-23-33-22(8-9-34(21)23)36-14-15-2-4-17(5-3-15)37-18-6-7-20(26)19(10-18)25(27,28)29/h2-13H,14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human Lp-PLA2 using 2-thio-PAF substrate after 10 mins				J Med Chem 58: 8529-41 (2015) BindingDB Entry DOI: 10.7270/Q2VQ34H4
					More data for this Ligand-Target Pair