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BDBM95316 2-(4-keto-6-methyl-2-thioxo-1H-pyrimidin-5-yl)propionic acid amyl ester::2-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoic acid pentyl ester::MLS000081534::SMR000058054::cid_662298::pentyl 2-(6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)propanoate::pentyl 2-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoate

SMILES: CCCCCOC(=O)C(C)c1c(C)[nH]c(=S)[nH]c1=O

InChI Key: InChIKey=WEBPVIGOCXNOCF-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 95316   
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
MSRA protein


(Bos taurus)
BDBM95316
PNG
(2-(4-keto-6-methyl-2-thioxo-1H-pyrimidin-5-yl)prop...)
Show SMILES CCCCCOC(=O)C(C)c1c(C)[nH]c(=S)[nH]c1=O
Show InChI InChI=1S/C13H20N2O3S/c1-4-5-6-7-18-12(17)8(2)10-9(3)14-13(19)15-11(10)16/h8H,4-7H2,1-3H3,(H2,14,15,16,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.15E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2639NCQ
More data for this
Ligand-Target Pair