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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A' and Ligand = 'BDBM50034644'   
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
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50034644
PNG
(CHEMBL3360418 | US9617269, Compound WYQ-88)
Show SMILES COc1ccc(NC(=O)CNc2nc3n(ncc3c(=O)[nH]2)C(C)C)cc1
Show InChI InChI=1S/C17H20N6O3/c1-10(2)23-15-13(8-19-23)16(25)22-17(21-15)18-9-14(24)20-11-4-6-12(26-3)7-5-11/h4-8,10H,9H2,1-3H3,(H,20,24)(H2,18,21,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 26n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...


US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50034644
PNG
(CHEMBL3360418 | US9617269, Compound WYQ-88)
Show SMILES COc1ccc(NC(=O)CNc2nc3n(ncc3c(=O)[nH]2)C(C)C)cc1
Show InChI InChI=1S/C17H20N6O3/c1-10(2)23-15-13(8-19-23)16(25)22-17(21-15)18-9-14(24)20-11-4-6-12(26-3)7-5-11/h4-8,10H,9H2,1-3H3,(H,20,24)(H2,18,21,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE9A2 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 57: 10304-13 (2014)


Article DOI: 10.1021/jm500836h
BindingDB Entry DOI: 10.7270/Q28P624W
More data for this
Ligand-Target Pair