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BDBM50034643 CHEMBL3360417

SMILES: COc1ccc(NC(=O)[C@@H](CC(C)C)Nc2nc3n(ncc3c(=O)[nH]2)C2CCCC2)cc1

InChI Key: InChIKey=BZWQRKOJTRFTAR-TWYLJJHKNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50034643   
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))
BDBM50034643
PNG
(CHEMBL3360417)
Show SMILES COc1ccc(NC(=O)[C@@H](CC(C)C)Nc2nc3n(ncc3c(=O)[nH]2)C2CCCC2)cc1
Show InChI InChI=1/C23H30N6O3/c1-14(2)12-19(22(31)25-15-8-10-17(32-3)11-9-15)26-23-27-20-18(21(30)28-23)13-24-29(20)16-6-4-5-7-16/h8-11,13-14,16,19H,4-7,12H2,1-3H3,(H,25,31)(H2,26,27,28,30)/t19-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.10n/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