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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'cGMP-specific 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50134121'   
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


(Bos taurus)
BDBM50134121
PNG
((3aR,10R)-2-Butyl-10-pyridin-3-yl-3a,4,9,10-tetrah...)
Show SMILES CCCCn1c(O)c2Cc3c([nH]c4ccccc34)[C@@H](c3cccnc3)n2c1=O |r|
Show InChI InChI=1S/C22H22N4O2/c1-2-3-11-25-21(27)18-12-16-15-8-4-5-9-17(15)24-19(16)20(26(18)22(25)28)14-7-6-10-23-13-14/h4-10,13,20,24,27H,2-3,11-12H2,1H3/t20-/m1/s1
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Article
PubMed
n/an/a 90n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine PDE5 (phosphodiesterase-5).


J Med Chem 46: 4525-32 (2003)


Article DOI: 10.1021/jm030056e
BindingDB Entry DOI: 10.7270/Q2NP255G
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50134121
PNG
((3aR,10R)-2-Butyl-10-pyridin-3-yl-3a,4,9,10-tetrah...)
Show SMILES CCCCn1c(O)c2Cc3c([nH]c4ccccc34)[C@@H](c3cccnc3)n2c1=O |r|
Show InChI InChI=1S/C22H22N4O2/c1-2-3-11-25-21(27)18-12-16-15-8-4-5-9-17(15)24-19(16)20(26(18)22(25)28)14-7-6-10-23-13-14/h4-10,13,20,24,27H,2-3,11-12H2,1H3/t20-/m1/s1
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PC sid
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Article
PubMed
n/an/a 91n/an/an/an/an/an/a



Universidade Federal de Lavras-UFLA

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem 16: 7599-606 (2008)


Article DOI: 10.1016/j.bmc.2008.07.022
BindingDB Entry DOI: 10.7270/Q2VX0HRR
More data for this
Ligand-Target Pair