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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 = 'BDBM50169640'   
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))
BDBM50169640
PNG
(5-(2-Ethoxy-phenyl)-3-propyl-1,6-dihydro-pyrazolo[...)
Show SMILES CCCc1[nH]nc2c1nc([nH]c2=O)-c1ccccc1OCC
Show InChI InChI=1S/C16H18N4O2/c1-3-7-11-13-14(20-19-11)16(21)18-15(17-13)10-8-5-6-9-12(10)22-4-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,19,20)(H,17,18,21)
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Article
PubMed
n/an/a 50n/an/an/an/an/an/a



BAYER HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5


Bioorg Med Chem Lett 15: 3900-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.090
BindingDB Entry DOI: 10.7270/Q2XS5TWD
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50169640
PNG
(5-(2-Ethoxy-phenyl)-3-propyl-1,6-dihydro-pyrazolo[...)
Show SMILES CCCc1[nH]nc2c1nc([nH]c2=O)-c1ccccc1OCC
Show InChI InChI=1S/C16H18N4O2/c1-3-7-11-13-14(20-19-11)16(21)18-15(17-13)10-8-5-6-9-12(10)22-4-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,19,20)(H,17,18,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 82n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5 from human corpus cavernosum


Bioorg Med Chem Lett 6: 1819-1824 (1996)


Article DOI: 10.1016/0960-894X(96)00323-X
BindingDB Entry DOI: 10.7270/Q2G73DQW
More data for this
Ligand-Target Pair