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BDBM50093930 2-(3,4-Difluoro-benzylsulfanyl)-1-furan-2-ylmethyl-5-pyrimidin-5-ylmethyl-1H-pyrimidin-4-one::CHEMBL313811

SMILES: Fc1ccc(CSc2nc(=O)c(Cc3cncnc3)cn2Cc2ccco2)cc1F

InChI Key: InChIKey=IAAVAYGIMHSAOH-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50093930   
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))
BDBM50093930
PNG
(2-(3,4-Difluoro-benzylsulfanyl)-1-furan-2-ylmethyl...)
Show SMILES Fc1ccc(CSc2nc(=O)c(Cc3cncnc3)cn2Cc2ccco2)cc1F
Show InChI InChI=1S/C21H16F2N4O2S/c22-18-4-3-14(7-19(18)23)12-30-21-26-20(28)16(6-15-8-24-13-25-9-15)10-27(21)11-17-2-1-5-29-17/h1-5,7-10,13H,6,11-12H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 235n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein associated phospholipase A2 in human plasma


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


Article DOI: 10.1016/s0960-894x(00)00510-2
BindingDB Entry DOI: 10.7270/Q2B857C6
More data for this
Ligand-Target Pair