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BDBM197734 BDBM197735::US10562916, Compound 125::US9216986, 2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-ethyl]-quinoline::US9801878, 2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-ethyl]-quinoline::US9834564, Compound 125

SMILES: Cc1ncc(C)n2nc(CCc3ccc4ccccc4n3)nc12

InChI Key: InChIKey=HFJAJRSXGFHBJL-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 197734   
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
PED10A


(Homo sapiens (Human))
BDBM197734
PNG
(BDBM197735 | US10562916, Compound 125 | US9216986,...)
Show SMILES Cc1ncc(C)n2nc(CCc3ccc4ccccc4n3)nc12
Show InChI InChI=1S/C18H17N5/c1-12-11-19-13(2)18-21-17(22-23(12)18)10-9-15-8-7-14-5-3-4-6-16(14)20-15/h3-8,11H,9-10H2,1-2H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 19n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...


US Patent US9216986 (2015)


BindingDB Entry DOI: 10.7270/Q2Z31XG5
More data for this
Ligand-Target Pair
PED10A


(Homo sapiens (Human))
BDBM197734
PNG
(BDBM197735 | US10562916, Compound 125 | US9216986,...)
Show SMILES Cc1ncc(C)n2nc(CCc3ccc4ccccc4n3)nc12
Show InChI InChI=1S/C18H17N5/c1-12-11-19-13(2)18-21-17(22-23(12)18)10-9-15-8-7-14-5-3-4-6-16(14)20-15/h3-8,11H,9-10H2,1-2H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.40n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...


US Patent US9216986 (2015)


BindingDB Entry DOI: 10.7270/Q2Z31XG5
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM197734
PNG
(BDBM197735 | US10562916, Compound 125 | US9216986,...)
Show SMILES Cc1ncc(C)n2nc(CCc3ccc4ccccc4n3)nc12
Show InChI InChI=1S/C18H17N5/c1-12-11-19-13(2)18-21-17(22-23(12)18)10-9-15-8-7-14-5-3-4-6-16(14)20-15/h3-8,11H,9-10H2,1-2H3
PDB
MMDB

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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Sunovion Pharmaceuticals, Inc.

US Patent


Assay Description
In one embodiment, the compounds provided herein were assayed for their ability to inhibit human PDE-10A. In one embodiment, the activities of the co...


US Patent US10562916 (2020)


BindingDB Entry DOI: 10.7270/Q2N87D6K
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM197734
PNG
(BDBM197735 | US10562916, Compound 125 | US9216986,...)
Show SMILES Cc1ncc(C)n2nc(CCc3ccc4ccccc4n3)nc12
Show InChI InChI=1S/C18H17N5/c1-12-11-19-13(2)18-21-17(22-23(12)18)10-9-15-8-7-14-5-3-4-6-16(14)20-15/h3-8,11H,9-10H2,1-2H3
PDB
MMDB

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UniProtKB/TrEMBL

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 19n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...


US Patent US9801878 (2017)


BindingDB Entry DOI: 10.7270/Q26Q20CD
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM197734
PNG
(BDBM197735 | US10562916, Compound 125 | US9216986,...)
Show SMILES Cc1ncc(C)n2nc(CCc3ccc4ccccc4n3)nc12
Show InChI InChI=1S/C18H17N5/c1-12-11-19-13(2)18-21-17(22-23(12)18)10-9-15-8-7-14-5-3-4-6-16(14)20-15/h3-8,11H,9-10H2,1-2H3
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 170n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...


US Patent US9801878 (2017)


BindingDB Entry DOI: 10.7270/Q26Q20CD
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM197734
PNG
(BDBM197735 | US10562916, Compound 125 | US9216986,...)
Show SMILES Cc1ncc(C)n2nc(CCc3ccc4ccccc4n3)nc12
Show InChI InChI=1S/C18H17N5/c1-12-11-19-13(2)18-21-17(22-23(12)18)10-9-15-8-7-14-5-3-4-6-16(14)20-15/h3-8,11H,9-10H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

US Patent


Assay Description
The activities of the compounds were determined using the Molecular Devices IMAP PDE Fluorescence Polarization assay using recombinant human PDE-10 e...


US Patent US9834564 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VN4
More data for this
Ligand-Target Pair