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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 = 'BDBM50050616'   
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))
BDBM50050616
PNG
(1-Butyl-3-methyl-6-(2-propoxy-phenyl)-1,5-dihydro-...)
Show SMILES CCCCn1nc(C)c2c1nc([nH]c2=O)-c1ccccc1OCCC
Show InChI InChI=1S/C19H24N4O2/c1-4-6-11-23-18-16(13(3)22-23)19(24)21-17(20-18)14-9-7-8-10-15(14)25-12-5-2/h7-10H,4-6,11-12H2,1-3H3,(H,20,21,24)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Laboratories Glaxo Wellcome Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5 from human


J Med Chem 39: 1635-44 (1996)


Article DOI: 10.1021/jm950812j
BindingDB Entry DOI: 10.7270/Q2057F1T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)
BDBM50050616
PNG
(1-Butyl-3-methyl-6-(2-propoxy-phenyl)-1,5-dihydro-...)
Show SMILES CCCCn1nc(C)c2c1nc([nH]c2=O)-c1ccccc1OCCC
Show InChI InChI=1S/C19H24N4O2/c1-4-6-11-23-18-16(13(3)22-23)19(24)21-17(20-18)14-9-7-8-10-15(14)25-12-5-2/h7-10H,4-6,11-12H2,1-3H3,(H,20,21,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 900n/an/an/an/a



Laboratories Glaxo Wellcome Centre de Recherches

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of stimulation of rat aortic smooth muscle cells (RSMC)


J Med Chem 39: 1635-44 (1996)


Article DOI: 10.1021/jm950812j
BindingDB Entry DOI: 10.7270/Q2057F1T
More data for this
Ligand-Target Pair