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SMILES: CCc1cnc(nc1)C1CCC1c1nc2n(nc(C#N)c2c(=O)[nH]1)[C@@H](C)c1ccc(nc1)C(F)(F)F

InChI Key:

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 3 hits for monomerid = 484541   
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
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM484541
PNG
(US10934294, Example 62 | US11028092, Example 63)
Show SMILES CCc1cnc(nc1)C1CCC1c1nc2n(nc(C#N)c2c(=O)[nH]1)[C@@H](C)c1ccc(nc1)C(F)(F)F |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.0100n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))
BDBM484541
PNG
(US10934294, Example 62 | US11028092, Example 63)
Show SMILES CCc1cnc(nc1)C1CCC1c1nc2n(nc(C#N)c2c(=O)[nH]1)[C@@H](C)c1ccc(nc1)C(F)(F)F |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.0100n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assays for PDE 1 through 11 were performed in parallel at room temperature in 384-well microtiter plates with an incubation volume of 20.2 μL. S...


US Patent US11028092 (2021)


BindingDB Entry DOI: 10.7270/Q2XS5ZH4
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))
BDBM484541
PNG
(US10934294, Example 62 | US11028092, Example 63)
Show SMILES CCc1cnc(nc1)C1CCC1c1nc2n(nc(C#N)c2c(=O)[nH]1)[C@@H](C)c1ccc(nc1)C(F)(F)F |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
5.60n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assays for PDE 1 through 11 were performed in parallel at room temperature in 384-well microtiter plates with an incubation volume of 20.2 μL. S...


US Patent US11028092 (2021)


BindingDB Entry DOI: 10.7270/Q2XS5ZH4
More data for this
Ligand-Target Pair