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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 = 'BDBM50300957'   
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))
BDBM50300957
PNG
(3-(2-aminoethylamino)-7-(6-methoxypyridin-3-yl)-1-...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NCCN)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C20H26N6O3/c1-3-9-29-10-8-26-17-11-15(14-4-5-18(28-2)24-12-14)23-13-16(17)25-19(20(26)27)22-7-6-21/h4-5,11-13H,3,6-10,21H2,1-2H3,(H,22,25)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.25n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human platelet PDE5 assessed as reduction in conversion of [3H]cGMP to [3H]GMP after 2 hr by scintillation proximity assay


J Med Chem 53: 2656-60 (2010)


Article DOI: 10.1021/jm901781q
BindingDB Entry DOI: 10.7270/Q2VM4CCK
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50300957
PNG
(3-(2-aminoethylamino)-7-(6-methoxypyridin-3-yl)-1-...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NCCN)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C20H26N6O3/c1-3-9-29-10-8-26-17-11-15(14-4-5-18(28-2)24-12-14)23-13-16(17)25-19(20(26)27)22-7-6-21/h4-5,11-13H,3,6-10,21H2,1-2H3,(H,22,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.25n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 5209-13 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.019
BindingDB Entry DOI: 10.7270/Q2H41RHV
More data for this
Ligand-Target Pair