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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 = 'BDBM50050592'   
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))
BDBM50050592
PNG
(CHEMBL46621 | N-[3-(1,3-Dimethyl-4-oxo-4,5-dihydro...)
Show SMILES CCCOc1ccc(NC(=O)CN2CCN(C)CC2)cc1-c1nc2n(C)nc(C)c2c(=O)[nH]1
Show InChI InChI=1S/C23H31N7O3/c1-5-12-33-18-7-6-16(24-19(31)14-30-10-8-28(3)9-11-30)13-17(18)21-25-22-20(23(32)26-21)15(2)27-29(22)4/h6-7,13H,5,8-12,14H2,1-4H3,(H,24,31)(H,25,26,32)
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Article
PubMed
n/an/a 3.5n/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)
BDBM50050592
PNG
(CHEMBL46621 | N-[3-(1,3-Dimethyl-4-oxo-4,5-dihydro...)
Show SMILES CCCOc1ccc(NC(=O)CN2CCN(C)CC2)cc1-c1nc2n(C)nc(C)c2c(=O)[nH]1
Show InChI InChI=1S/C23H31N7O3/c1-5-12-33-18-7-6-16(24-19(31)14-30-10-8-28(3)9-11-30)13-17(18)21-25-22-20(23(32)26-21)15(2)27-29(22)4/h6-7,13H,5,8-12,14H2,1-4H3,(H,24,31)(H,25,26,32)
PDB
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Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 400n/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