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BDBM224803 US9328120, 33 (enantiomer 1)::US9328120, 34 (enantiomer 2)

SMILES: FC1(F)CCC(CC1)n1ncc2c1nc([nH]c2=O)C1CCC1c1ccccn1

InChI Key: InChIKey=FYIFPWUJTMGYMG-UHFFFAOYNA-N

Data: 2 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 = 224803   
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 (PDE9A2)


(Homo sapiens (Human))
BDBM224803
PNG
(US9328120, 33 (enantiomer 1) | US9328120, 34 (enan...)
Show SMILES FC1(F)CCC(CC1)n1ncc2c1nc([nH]c2=O)C1CCC1c1ccccn1
Show InChI InChI=1/C20H21F2N5O/c21-20(22)8-6-12(7-9-20)27-18-15(11-24-27)19(28)26-17(25-18)14-5-4-13(14)16-3-1-2-10-23-16/h1-3,10-14H,4-9H2,(H,25,26,28)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 388n/an/an/an/an/a25



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US9328120 (2016)


BindingDB Entry DOI: 10.7270/Q2V123MS
More data for this
Ligand-Target Pair
Phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM224803
PNG
(US9328120, 33 (enantiomer 1) | US9328120, 34 (enan...)
Show SMILES FC1(F)CCC(CC1)n1ncc2c1nc([nH]c2=O)C1CCC1c1ccccn1
Show InChI InChI=1/C20H21F2N5O/c21-20(22)8-6-12(7-9-20)27-18-15(11-24-27)19(28)26-17(25-18)14-5-4-13(14)16-3-1-2-10-23-16/h1-3,10-14H,4-9H2,(H,25,26,28)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/an/a25



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US9328120 (2016)


BindingDB Entry DOI: 10.7270/Q2V123MS
More data for this
Ligand-Target Pair