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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 = 'BDBM50140616'   
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))
BDBM50140616
PNG
(2N-methyl-3-(3-chloro-4-methoxybenzyl)-5-ethyl-4-o...)
Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(C(=O)NC)n(Cc3ccc(OC)c(Cl)c3)c2C1=O |r,t:3|
Show InChI InChI=1S/C22H25ClN6O3/c1-4-27-21(31)17-18(29-15-7-5-6-14(15)25-22(27)29)26-19(20(30)24-2)28(17)11-12-8-9-16(32-3)13(23)10-12/h8-10,14-15H,4-7,11H2,1-3H3,(H,24,30)/t14-,15+/m1/s1
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Article
PubMed
n/an/a 2.30n/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))
BDBM50140616
PNG
(2N-methyl-3-(3-chloro-4-methoxybenzyl)-5-ethyl-4-o...)
Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(C(=O)NC)n(Cc3ccc(OC)c(Cl)c3)c2C1=O |r,t:3|
Show InChI InChI=1S/C22H25ClN6O3/c1-4-27-21(31)17-18(29-15-7-5-6-14(15)25-22(27)29)26-19(20(30)24-2)28(17)11-12-8-9-16(32-3)13(23)10-12/h8-10,14-15H,4-7,11H2,1-3H3,(H,24,30)/t14-,15+/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 2.30n/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