BDBM50132815 CHEMBL3634546

SMILES: Cn1cc(cn1)-c1cnc2nc(OCc3ccc(Oc4ccc(Cl)c(c4)C(F)(F)F)cc3)ccn12

InChI Key: InChIKey=CQTPVIZYSCRUHD-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 = 50132815   

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))	BDBM50132815 (CHEMBL3634546) Show SMILES Cn1cc(cn1)-c1cnc2nc(OCc3ccc(Oc4ccc(Cl)c(c4)C(F)(F)F)cc3)ccn12 Show InChI InChI=1S/C24H17ClF3N5O2/c1-32-13-16(11-30-32)21-12-29-23-31-22(8-9-33(21)23)34-14-15-2-4-17(5-3-15)35-18-6-7-20(25)19(10-18)24(26,27)28/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 Patents Similars	PubMed	n/a	n/a	17	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