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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cGMP-specific 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50257323'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50257323
PNG
(CHEMBL493552 | ethyl 4-methyl-2-(4-(piperazin-1-yl...)
Show SMILES CCOC(=O)c1sc(Nc2nc(NCc3ccc(cc3)S(N)(=O)=O)cc(n2)N2CCNCC2)nc1C
Show InChI InChI=1S/C22H28N8O4S2/c1-3-34-20(31)19-14(2)26-22(35-19)29-21-27-17(12-18(28-21)30-10-8-24-9-11-30)25-13-15-4-6-16(7-5-15)36(23,32)33/h4-7,12,24H,3,8-11,13H2,1-2H3,(H2,23,32,33)(H2,25,26,27,28,29)
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Article
PubMed
n/an/a 72n/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