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BDBM50257382 CHEMBL493514::ethyl 4-methyl-2-(4-(methyl(3,4,5-trimethoxybenzyl)amino)-6-(piperazin-1-yl)pyrimidin-2-ylamino)thiazole-5-carboxylate

SMILES: CCOC(=O)c1sc(Nc2nc(cc(n2)N2CCNCC2)N(C)Cc2cc(OC)c(OC)c(OC)c2)nc1C

InChI Key: InChIKey=CELAACRDIWTXLD-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50257382   
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
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50257382
PNG
(CHEMBL493514 | ethyl 4-methyl-2-(4-(methyl(3,4,5-t...)
Show SMILES CCOC(=O)c1sc(Nc2nc(cc(n2)N2CCNCC2)N(C)Cc2cc(OC)c(OC)c(OC)c2)nc1C
Show InChI InChI=1S/C26H35N7O5S/c1-7-38-24(34)23-16(2)28-26(39-23)31-25-29-20(14-21(30-25)33-10-8-27-9-11-33)32(3)15-17-12-18(35-4)22(37-6)19(13-17)36-5/h12-14,27H,7-11,15H2,1-6H3,(H,28,29,30,31)
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Article
PubMed
n/an/a 7.60E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 1935-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.060
BindingDB Entry DOI: 10.7270/Q2TM7B02
More data for this
Ligand-Target Pair