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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50034639   
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))		BDBM50034639
PNG
(CHEMBL3360414 | US9617269, Compound WYQ-91)
Show SMILES COc1ccc(NC(=O)CNc2nc3n(ncc3c(=O)[nH]2)C2CCCC2)cc1
Show InChI InChI=1S/C19H22N6O3/c1-28-14-8-6-12(7-9-14)22-16(26)11-20-19-23-17-15(18(27)24-19)10-21-25(17)13-4-2-3-5-13/h6-10,13H,2-5,11H2,1H3,(H,22,26)(H2,20,23,24,27)
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KEGG

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Article
PubMed
n/an/a 5.5n/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
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM50034639
PNG
(CHEMBL3360414 | US9617269, Compound WYQ-91)
Show SMILES COc1ccc(NC(=O)CNc2nc3n(ncc3c(=O)[nH]2)C2CCCC2)cc1
Show InChI InChI=1S/C19H22N6O3/c1-28-14-8-6-12(7-9-14)22-16(26)11-20-19-23-17-15(18(27)24-19)10-21-25(17)13-4-2-3-5-13/h6-10,13H,2-5,11H2,1H3,(H,22,26)(H2,20,23,24,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Similars
US Patent
n/an/a 6n/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