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BDBM50093924 2-[8-(4-Chloro-phenyl)-8-oxo-octylsulfanyl]-5-pyrimidin-5-ylmethyl-1-thiophen-2-ylmethyl-1H-pyrimidin-4-one::CHEMBL85805

SMILES: Clc1ccc(cc1)C(=O)CCCCCCCSc1nc(=O)c(Cc2cncnc2)cn1Cc1cccs1

InChI Key: InChIKey=JXOWPNYSPLGKNC-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50093924   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50093924
PNG
(2-[8-(4-Chloro-phenyl)-8-oxo-octylsulfanyl]-5-pyri...)
Show SMILES Clc1ccc(cc1)C(=O)CCCCCCCSc1nc(=O)c(Cc2cncnc2)cn1Cc1cccs1
Show InChI InChI=1S/C28H29ClN4O2S2/c29-24-11-9-22(10-12-24)26(34)8-4-2-1-3-5-13-37-28-32-27(35)23(15-21-16-30-20-31-17-21)18-33(28)19-25-7-6-14-36-25/h6-7,9-12,14,16-18,20H,1-5,8,13,15,19H2
PDB
MMDB

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Reactome pathway
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PC cid
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Similars

PubMed
n/an/a 11n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein associated phospholipase A2 in human plasma


Bioorg Med Chem Lett 10: 2557-61 (2001)


BindingDB Entry DOI: 10.7270/Q2B857C6
More data for this
Ligand-Target Pair