BDBM50117778 2-[2-(4-Fluoro-benzylsulfanyl)-5-(1-methyl-1H-pyrazol-4-ylmethyl)-4-oxo-4H-pyrimidin-1-yl]-N-(2-piperidin-1-yl-ethyl)-N-(4'-trifluoromethyl-biphenyl-4-ylmethyl)-acetamide::CHEMBL314768

SMILES: Cn1cc(Cc2cn(CC(=O)N(CCN3CCCCC3)Cc3ccc(cc3)-c3ccc(cc3)C(F)(F)F)c(SCc3ccc(F)cc3)nc2=O)cn1

InChI Key: InChIKey=RIDDCLHNDOXTES-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50117778   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50117778 (2-[2-(4-Fluoro-benzylsulfanyl)-5-(1-methyl-1H-pyra...) Show SMILES Cn1cc(Cc2cn(CC(=O)N(CCN3CCCCC3)Cc3ccc(cc3)-c3ccc(cc3)C(F)(F)F)c(SCc3ccc(F)cc3)nc2=O)cn1 Show InChI InChI=1S/C39H40F4N6O2S/c1-46-23-30(22-44-46)21-33-25-49(38(45-37(33)51)52-27-29-7-15-35(40)16-8-29)26-36(50)48(20-19-47-17-3-2-4-18-47)24-28-5-9-31(10-6-28)32-11-13-34(14-12-32)39(41,42)43/h5-16,22-23,25H,2-4,17-21,24,26-27H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of cytochrome P450 3A4				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
LDL-associated phospholipase A2 (Homo sapiens (Human))	BDBM50117778 (2-[2-(4-Fluoro-benzylsulfanyl)-5-(1-methyl-1H-pyra...) Show SMILES Cn1cc(Cc2cn(CC(=O)N(CCN3CCCCC3)Cc3ccc(cc3)-c3ccc(cc3)C(F)(F)F)c(SCc3ccc(F)cc3)nc2=O)cn1 Show InChI InChI=1S/C39H40F4N6O2S/c1-46-23-30(22-44-46)21-33-25-49(38(45-37(33)51)52-27-29-7-15-35(40)16-8-29)26-36(50)48(20-19-47-17-3-2-4-18-47)24-28-5-9-31(10-6-28)32-11-13-34(14-12-32)39(41,42)43/h5-16,22-23,25H,2-4,17-21,24,26-27H2,1H3	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	0.170	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was estimated				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair