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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 = 'BDBM50140589'   
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))
BDBM50140589
PNG
(3-(3-chloro-4-methoxybenzyl)-2-ethoxy-5-ethyl-(6aR...)
Show SMILES CCOc1nc2N3[C@H]4CCC[C@H]4N=C3N(CC)C(=O)c2n1Cc1ccc(OC)c(Cl)c1 |r,c:13|
Show InChI InChI=1S/C22H26ClN5O3/c1-4-26-20(29)18-19(28-16-8-6-7-15(16)24-21(26)28)25-22(31-5-2)27(18)12-13-9-10-17(30-3)14(23)11-13/h9-11,15-16H,4-8,12H2,1-3H3/t15-,16+/m1/s1
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PC cid
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Article
PubMed
n/an/a 6.5n/an/an/an/an/an/a



Universidade Federal de Lavras-UFLA

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Eur J Med Chem 43: 1632-8 (2008)


Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50140589
PNG
(3-(3-chloro-4-methoxybenzyl)-2-ethoxy-5-ethyl-(6aR...)
Show SMILES CCOc1nc2N3[C@H]4CCC[C@H]4N=C3N(CC)C(=O)c2n1Cc1ccc(OC)c(Cl)c1 |r,c:13|
Show InChI InChI=1S/C22H26ClN5O3/c1-4-26-20(29)18-19(28-16-8-6-7-15(16)24-21(26)28)25-22(31-5-2)27(18)12-13-9-10-17(30-3)14(23)11-13/h9-11,15-16H,4-8,12H2,1-3H3/t15-,16+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 6.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human phosphodiesterase 5 (PDE5) enzyme


Bioorg Med Chem Lett 14: 1291-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.027
BindingDB Entry DOI: 10.7270/Q2BG2NF0
More data for this
Ligand-Target Pair