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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 = 'BDBM50357240'   
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))
BDBM50357240
PNG
(CHEMBL1916486)
Show SMILES CCCOCCn1c2cc(nnc2c(NC2CCC(CC2)C(O)=O)nc1=O)-c1ccc(OC)nc1 |(2.15,6.01,;.82,5.24,;-.51,6.01,;-1.85,5.24,;-1.85,3.69,;-3.18,2.92,;-3.18,1.38,;-1.85,.61,;-.53,1.37,;.8,.61,;.8,-.93,;-.53,-1.7,;-1.86,-.93,;-3.18,-1.7,;-3.18,-3.24,;-4.51,-4.01,;-5.85,-3.24,;-7.18,-4,;-7.18,-5.54,;-5.85,-6.32,;-4.51,-5.55,;-8.52,-6.31,;-9.85,-5.54,;-8.52,-7.85,;-4.51,-.93,;-4.51,.61,;-5.85,1.37,;2.12,1.39,;2.12,2.92,;3.44,3.7,;4.79,2.93,;6.12,3.71,;7.45,2.95,;4.79,1.39,;3.46,.62,)|
Show InChI InChI=1S/C24H30N6O5/c1-3-11-35-12-10-30-19-13-18(16-6-9-20(34-2)25-14-16)28-29-21(19)22(27-24(30)33)26-17-7-4-15(5-8-17)23(31)32/h6,9,13-15,17H,3-5,7-8,10-12H2,1-2H3,(H,31,32)(H,26,27,33)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0200n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair