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PDB code 4YQH

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 3 hits Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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

  (321/321 = 100%)
(Homo sapiens (Human))
BDBM50004053
PNG
(CHEMBL2180006 | US10562916, Compound 1 | US9834564...)
Show SMILES C(Cc1cnc2ccccc2n1)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C19H16N4/c1-2-6-14(7-3-1)18-13-21-19(23-18)11-10-15-12-20-16-8-4-5-9-17(16)22-15/h1-9,12-13H,10-11H2,(H,21,23)
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Article
PubMed
n/an/a<500n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


J Med Chem 55: 7299-331 (2012)


Article DOI: 10.1021/jm3004976
BindingDB Entry DOI: 10.7270/Q2C24XJK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3',5'-cyclic phosphodiesterase

  (321/321 = 100%)
(Homo sapiens (Human))
BDBM50004053
PNG
(CHEMBL2180006 | US10562916, Compound 1 | US9834564...)
Show SMILES C(Cc1cnc2ccccc2n1)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C19H16N4/c1-2-6-14(7-3-1)18-13-21-19(23-18)11-10-15-12-20-16-8-4-5-9-17(16)22-15/h1-9,12-13H,10-11H2,(H,21,23)
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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
3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A

  (321/321 = 100%)
(Homo sapiens (Human))
BDBM50004053
PNG
(CHEMBL2180006 | US10562916, Compound 1 | US9834564...)
Show SMILES C(Cc1cnc2ccccc2n1)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C19H16N4/c1-2-6-14(7-3-1)18-13-21-19(23-18)11-10-15-12-20-16-8-4-5-9-17(16)22-15/h1-9,12-13H,10-11H2,(H,21,23)
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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
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output