BDBM50117782 CHEMBL315766::N-(4'-Chloro-biphenyl-4-ylmethyl)-N-(3-diethylamino-propyl)-2-[2-(4-fluoro-benzylsulfanyl)-5-(1-methyl-1H-pyrazol-4-ylmethyl)-4-oxo-4H-pyrimidin-1-yl]-acetamide

SMILES: CCN(CC)CCCN(Cc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1

InChI Key: InChIKey=CITYKBCBSLSOSB-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 = 50117782   

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))	BDBM50117782 (CHEMBL315766 | N-(4'-Chloro-biphenyl-4-ylmethyl)-N...) Show SMILES CCN(CC)CCCN(Cc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C38H42ClFN6O2S/c1-4-44(5-2)19-6-20-45(24-28-7-11-31(12-8-28)32-13-15-34(39)16-14-32)36(47)26-46-25-33(21-30-22-41-43(3)23-30)37(48)42-38(46)49-27-29-9-17-35(40)18-10-29/h7-18,22-23,25H,4-6,19-21,24,26-27H2,1-3H3	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	0.350	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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50117782 (CHEMBL315766 | N-(4'-Chloro-biphenyl-4-ylmethyl)-N...) Show SMILES CCN(CC)CCCN(Cc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C38H42ClFN6O2S/c1-4-44(5-2)19-6-20-45(24-28-7-11-31(12-8-28)32-13-15-34(39)16-14-32)36(47)26-46-25-33(21-30-22-41-43(3)23-30)37(48)42-38(46)49-27-29-9-17-35(40)18-10-29/h7-18,22-23,25H,4-6,19-21,24,26-27H2,1-3H3	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	2.00E+3	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