BindingDB logo
myBDB logout

BDBM50034639 CHEMBL3360414

SMILES: COc1ccc(NC(=O)CNc2nc3n(ncc3c(=O)[nH]2)C2CCCC2)cc1

InChI Key: InChIKey=BXGYEZMSXWEQLG-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50034639   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
n/an/a 6n/an/an/an/an/an/a



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

US Patent




US Patent US9617269 (2017)


Article DOI: 10.1021/jm0512600
More data for this
Ligand-Target Pair
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 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

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
More data for this
Ligand-Target Pair