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SMILES: Cn1c(CCc2ccc3cnccc3n2)nc2c1ccc1cccnc21

InChI Key: InChIKey=GYWUTHCQZYWJIQ-UHFFFAOYSA-N

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 = 362603   
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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM362603
PNG
(US10562916, Compound 163 | US9834564, Compound 163)
Show SMILES Cn1c(CCc2ccc3cnccc3n2)nc2c1ccc1cccnc21
Show InChI InChI=1S/C21H17N5/c1-26-18-8-5-14-3-2-11-23-20(14)21(18)25-19(26)9-7-16-6-4-15-13-22-12-10-17(15)24-16/h2-6,8,10-13H,7,9H2,1H3
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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))
BDBM362603
PNG
(US10562916, Compound 163 | US9834564, Compound 163)
Show SMILES Cn1c(CCc2ccc3cnccc3n2)nc2c1ccc1cccnc21
Show InChI InChI=1S/C21H17N5/c1-26-18-8-5-14-3-2-11-23-20(14)21(18)25-19(26)9-7-16-6-4-15-13-22-12-10-17(15)24-16/h2-6,8,10-13H,7,9H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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