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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 = 'BDBM50141587'   
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))
BDBM50141587
PNG
(4-(3-Chloro-4-methoxy-benzylamino)-6-cyano-quinoli...)
Show SMILES COc1ccc(CNc2c(cnc3ccc(cc23)C#N)C(=O)NCc2ccccn2)cc1Cl
Show InChI InChI=1S/C25H20ClN5O2/c1-33-23-8-6-17(11-21(23)26)13-30-24-19-10-16(12-27)5-7-22(19)29-15-20(24)25(32)31-14-18-4-2-3-9-28-18/h2-11,15H,13-14H2,1H3,(H,29,30)(H,31,32)
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Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 from human platelets


Bioorg Med Chem Lett 14: 1577-80 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.090
BindingDB Entry DOI: 10.7270/Q2G1607Q
More data for this
Ligand-Target Pair