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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 = 'BDBM236642'   
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))
BDBM236642
PNG
(US9388139, 10)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(O)=O)c1ccc(OC)c(OC)c1 |c:11|
Show InChI InChI=1S/C25H24N2O5/c1-30-20-11-6-16(7-12-20)22-15-21(18-8-13-23(31-2)24(14-18)32-3)26-27(22)19-9-4-17(5-10-19)25(28)29/h4-14,22H,15H2,1-3H3,(H,28,29)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length GST-tagged PDE5A1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using TAMRA-cGMP as subst...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01120
BindingDB Entry DOI: 10.7270/Q2765K34
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM236642
PNG
(US9388139, 10)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(O)=O)c1ccc(OC)c(OC)c1 |c:11|
Show InChI InChI=1S/C25H24N2O5/c1-30-20-11-6-16(7-12-20)22-15-21(18-8-13-23(31-2)24(14-18)32-3)26-27(22)19-9-4-17(5-10-19)25(28)29/h4-14,22H,15H2,1-3H3,(H,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.90E+3n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...


US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair