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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 = 'BDBM50297805'   
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))
BDBM50297805
PNG
(4-(3,5-difluorobenzyl)-6-(4-fluorophenyl)-2-((tetr...)
Show SMILES Fc1ccc(cc1)-c1ccc2nc(NCC3CCOCC3)c(=O)n(Cc3cc(F)cc(F)c3)c2n1
Show InChI InChI=1S/C26H23F3N4O2/c27-19-3-1-18(2-4-19)22-5-6-23-25(32-22)33(15-17-11-20(28)13-21(29)12-17)26(34)24(31-23)30-14-16-7-9-35-10-8-16/h1-6,11-13,16H,7-10,14-15H2,(H,30,31)
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PC cid
PC sid
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Article
n/an/a 2.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PDE5 (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-010-9523-y
BindingDB Entry DOI: 10.7270/Q2JW8HS3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50297805
PNG
(4-(3,5-difluorobenzyl)-6-(4-fluorophenyl)-2-((tetr...)
Show SMILES Fc1ccc(cc1)-c1ccc2nc(NCC3CCOCC3)c(=O)n(Cc3cc(F)cc(F)c3)c2n1
Show InChI InChI=1S/C26H23F3N4O2/c27-19-3-1-18(2-4-19)22-5-6-23-25(32-22)33(15-17-11-20(28)13-21(29)12-17)26(34)24(31-23)30-14-16-7-9-35-10-8-16/h1-6,11-13,16H,7-10,14-15H2,(H,30,31)
PDB
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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair