BDBM50107500 2-[2-(4-Fluoro-benzylsulfanyl)-5-(1-methyl-1H-pyrazol-4-ylmethyl)-4-oxo-4H-pyrimidin-1-yl]-N-(4'-methanesulfonyl-biphenyl-4-ylmethyl)-N-methyl-acetamide::CHEMBL150078

SMILES: CN(Cc1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1

InChI Key: InChIKey=KQTPWMRJUWMKBZ-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 = 50107500   

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))	BDBM50107500 (2-[2-(4-Fluoro-benzylsulfanyl)-5-(1-methyl-1H-pyra...) Show SMILES CN(Cc1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C33H32FN5O4S2/c1-37(18-23-4-8-26(9-5-23)27-10-14-30(15-11-27)45(3,42)43)31(40)21-39-20-28(16-25-17-35-38(2)19-25)32(41)36-33(39)44-22-24-6-12-29(34)13-7-24/h4-15,17,19-20H,16,18,21-22H2,1-3H3	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	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human Lp-PLA2 (Lp-PLA2).				Bioorg Med Chem Lett 12: 51-5 (2001) BindingDB Entry DOI: 10.7270/Q2862FR5
					More data for this Ligand-Target Pair