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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'cGMP-dependent 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50263787'   
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-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50263787
PNG
(CHEMBL4069911)
Show SMILES COc1ccc(Cc2nn3c(nc(C)c3c(=O)[nH]2)[C@@H](CCC(O)c2ccccc2)[C@H](C)O)cc1OC |r|
Show InChI InChI=1S/C27H32N4O5/c1-16-25-27(34)29-24(15-18-10-13-22(35-3)23(14-18)36-4)30-31(25)26(28-16)20(17(2)32)11-12-21(33)19-8-6-5-7-9-19/h5-10,13-14,17,20-21,32-33H,11-12,15H2,1-4H3,(H,29,30,34)/t17-,20-,21?/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.35n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 61: 3626-3640 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00116
BindingDB Entry DOI: 10.7270/Q2BV7K2X
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50263787
PNG
(CHEMBL4069911)
Show SMILES COc1ccc(Cc2nn3c(nc(C)c3c(=O)[nH]2)[C@@H](CCC(O)c2ccccc2)[C@H](C)O)cc1OC |r|
Show InChI InChI=1S/C27H32N4O5/c1-16-25-27(34)29-24(15-18-10-13-22(35-3)23(14-18)36-4)30-31(25)26(28-16)20(17(2)32)11-12-21(33)19-8-6-5-7-9-19/h5-10,13-14,17,20-21,32-33H,11-12,15H2,1-4H3,(H,29,30,34)/t17-,20-,21?/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 61: 3626-3640 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00116
BindingDB Entry DOI: 10.7270/Q2BV7K2X
More data for this
Ligand-Target Pair