BDBM50085629 2-[8-(4-Chloro-phenyl)-8-oxo-octylsulfanyl]-5-(1-methyl-2-oxo-1,2-dihydro-pyridin-4-ylmethyl)-1H-pyrimidin-4-one::CHEMBL128727

SMILES: Cn1ccc(Cc2cnc(SCCCCCCCC(=O)c3ccc(Cl)cc3)[nH]c2=O)cc1=O

InChI Key: InChIKey=WFQWFYMRSSXQRP-UHFFFAOYSA-N

Data: 1 KI  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 2 hits for monomerid = 50085629   

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))	BDBM50085629 (2-[8-(4-Chloro-phenyl)-8-oxo-octylsulfanyl]-5-(1-m...) Show SMILES Cn1ccc(Cc2cnc(SCCCCCCCC(=O)c3ccc(Cl)cc3)[nH]c2=O)cc1=O Show InChI InChI=1S/C25H28ClN3O3S/c1-29-13-12-18(16-23(29)31)15-20-17-27-25(28-24(20)32)33-14-6-4-2-3-5-7-22(30)19-8-10-21(26)11-9-19/h8-13,16-17H,2-7,14-15H2,1H3,(H,27,28,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description The compound was tested for inhibition of Lipoprotein-associated phospholipase A2 (Lp-PLA2)				Bioorg Med Chem Lett 10: 395-8 (2000) BindingDB Entry DOI: 10.7270/Q25X285S
					More data for this Ligand-Target Pair
LDL-associated phospholipase A2 (Homo sapiens (Human))	BDBM50085629 (2-[8-(4-Chloro-phenyl)-8-oxo-octylsulfanyl]-5-(1-m...) Show SMILES Cn1ccc(Cc2cnc(SCCCCCCCC(=O)c3ccc(Cl)cc3)[nH]c2=O)cc1=O Show InChI InChI=1S/C25H28ClN3O3S/c1-29-13-12-18(16-23(29)31)15-20-17-27-25(28-24(20)32)33-14-6-4-2-3-5-7-22(30)19-8-10-21(26)11-9-19/h8-13,16-17H,2-7,14-15H2,1H3,(H,27,28,32)	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	72	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of lipoprotein-associated phospholipase A2 (Lp-PLA2)				Bioorg Med Chem Lett 10: 395-8 (2000) BindingDB Entry DOI: 10.7270/Q25X285S
					More data for this Ligand-Target Pair