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Compile Data Set for Download or QSAR

Found 4 hits of ph data with Target = 'pde10a enzyme'   
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
pde10a enzyme


(Homo sapiens (Human))
BDBM291105
PNG
(5-(2-fluoro- ethyloxy-d4)-1-(2- fluoro-4- (tetrahy...)
Show SMILES [2H]C([2H])(F)C([2H])([2H])Oc1cn(nc(-c2ccnn2-c2ccccc2)c1=O)-c1ccc(cc1F)C1CCOCC1
Show InChI InChI=1S/C26H24F2N4O3/c27-11-15-35-24-17-31(22-7-6-19(16-21(22)28)18-9-13-34-14-10-18)30-25(26(24)33)23-8-12-29-32(23)20-4-2-1-3-5-20/h1-8,12,16-18H,9-11,13-15H2/i11D2,15D2
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/a7.425



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Human PDE1A, 3A, 4D2, 5A1, 7B, 8A1, 9A2, and 11A4 enzymes were purchased from BPS Bioscience. Human PDE6AB enzyme was purchased from Scottish Biomedi...


US Patent US9579407 (2017)

More data for this
Ligand-Target Pair
pde10a enzyme


(Homo sapiens (Human))
BDBM290892
PNG
(5-(fluoro-methyloxy- d2)-1-(2-fluoro-4- (tetrahydr...)
Show SMILES [2H]C([2H])(F)Oc1cn(nc(-c2ccnn2-c2ccccc2)c1=O)-c1ccc(cc1F)C1CCOCC1
Show InChI InChI=1S/C25H22F2N4O3/c26-16-34-23-15-30(21-7-6-18(14-20(21)27)17-9-12-33-13-10-17)29-24(25(23)32)22-8-11-28-31(22)19-4-2-1-3-5-19/h1-8,11,14-15,17H,9-10,12-13,16H2/i16D2
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/a7.425



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Human PDE1A, 3A, 4D2, 5A1, 7B, 8A1, 9A2, and 11A4 enzymes were purchased from BPS Bioscience. Human PDE6AB enzyme was purchased from Scottish Biomedi...


US Patent US9579407 (2017)

More data for this
Ligand-Target Pair
pde10a enzyme


(Homo sapiens (Human))
BDBM290889
PNG
(1-[2-fluoro-4- (tetrahydro-2H- pyran-4-yl)phenyl]-...)
Show SMILES COc1cn(nc(-c2ccnn2-c2ccccc2)c1=O)-c1ccc(cc1F)C1CCOCC1
Show InChI InChI=1S/C25H23FN4O3/c1-32-23-16-29(21-8-7-18(15-20(21)26)17-10-13-33-14-11-17)28-24(25(23)31)22-9-12-27-30(22)19-5-3-2-4-6-19/h2-9,12,15-17H,10-11,13-14H2,1H3
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/a7.425



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Human PDE1A, 3A, 4D2, 5A1, 7B, 8A1, 9A2, and 11A4 enzymes were purchased from BPS Bioscience. Human PDE6AB enzyme was purchased from Scottish Biomedi...


US Patent US9579407 (2017)

More data for this
Ligand-Target Pair
pde10a enzyme


(Homo sapiens (Human))
BDBM50003994
PNG
(CHEMBL2180010 | US9579407, Example 00161)
Show SMILES COc1cn(nc(-c2ccnn2-c2ccccc2)c1=O)-c1ccc(cc1F)N1CC(F)(F)C1
Show InChI InChI=1S/C23H18F3N5O2/c1-33-20-12-30(18-8-7-16(11-17(18)24)29-13-23(25,26)14-29)28-21(22(20)32)19-9-10-27-31(19)15-5-3-2-4-6-15/h2-12H,13-14H2,1H3
PDB
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Patents


Similars

US Patent
n/an/a<1n/an/an/an/a7.425



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Human PDE1A, 3A, 4D2, 5A1, 7B, 8A1, 9A2, and 11A4 enzymes were purchased from BPS Bioscience. Human PDE6AB enzyme was purchased from Scottish Biomedi...


US Patent US9579407 (2017)

More data for this
Ligand-Target Pair