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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 = 'BDBM50120074'   
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))
BDBM50120074
PNG
(8-Cyclohexylamino-1,3-diethyl-7-(4-hydroxy-benzyl)...)
Show SMILES CCn1c2nc(NC3CCCCC3)n(Cc3ccc(O)cc3)c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C22H29N5O3/c1-3-25-19-18(20(29)26(4-2)22(25)30)27(14-15-10-12-17(28)13-11-15)21(24-19)23-16-8-6-5-7-9-16/h10-13,16,28H,3-9,14H2,1-2H3,(H,23,24)
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MMDB

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PubMed
n/an/a 0.600n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit phosphodiesterase type 5 (PDE5) isolated from corpus cavernosum by 50% was determined


Bioorg Med Chem Lett 12: 3149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2S46R83
More data for this
Ligand-Target Pair