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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 = 'BDBM50052090'   
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))
BDBM50052090
PNG
(6,7-Dimethoxy-9-(3,4,5-trimethoxy-phenyl)-3H-napht...)
Show SMILES COc1cc(cc(OC)c1OC)-c1c2C(=O)OCc2cc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C23H22O7/c1-25-16-7-12-6-14-11-30-23(24)21(14)20(15(12)10-17(16)26-2)13-8-18(27-3)22(29-5)19(9-13)28-4/h6-10H,11H2,1-5H3
PDB
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PC cid
PC sid
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Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Tan£be Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition in vitro of Phosphodiesterase 5 isolated from guinea pig lung


J Med Chem 39: 2696-704 (1996)


Article DOI: 10.1021/jm9509096
BindingDB Entry DOI: 10.7270/Q2WS8TW7
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)
BDBM50052090
PNG
(6,7-Dimethoxy-9-(3,4,5-trimethoxy-phenyl)-3H-napht...)
Show SMILES COc1cc(cc(OC)c1OC)-c1c2C(=O)OCc2cc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C23H22O7/c1-25-16-7-12-6-14-11-30-23(24)21(14)20(15(12)10-17(16)26-2)13-8-18(27-3)22(29-5)19(9-13)28-4/h6-10H,11H2,1-5H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.70E+3n/an/an/an/an/an/a



Tanabe Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE V), isolated from cardiac ventricle


J Med Chem 42: 1293-305 (1999)


Article DOI: 10.1021/jm9807048
BindingDB Entry DOI: 10.7270/Q27P8XKH
More data for this
Ligand-Target Pair