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BDBM50257381 CHEMBL493109::ethyl 2-(4-(3,4-dimethoxybenzylamino)-6-(piperazin-1-yl)pyrimidin-2-ylamino)-4-methylthiazole-5-carboxylate

SMILES: CCOC(=O)c1sc(Nc2nc(NCc3ccc(OC)c(OC)c3)cc(n2)N2CCNCC2)nc1C

InChI Key: InChIKey=DTNPTKBZFKHCLF-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50257381   
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))
BDBM50257381
PNG
(CHEMBL493109 | ethyl 2-(4-(3,4-dimethoxybenzylamin...)
Show SMILES CCOC(=O)c1sc(Nc2nc(NCc3ccc(OC)c(OC)c3)cc(n2)N2CCNCC2)nc1C
Show InChI InChI=1S/C24H31N7O4S/c1-5-35-22(32)21-15(2)27-24(36-21)30-23-28-19(13-20(29-23)31-10-8-25-9-11-31)26-14-16-6-7-17(33-3)18(12-16)34-4/h6-7,12-13,25H,5,8-11,14H2,1-4H3,(H2,26,27,28,29,30)
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Article
PubMed
n/an/a 320n/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