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Patent code US9138494

Compile Data Set for Download or QSAR
Found 8 hits of 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


(Homo sapiens (Human))
BDBM181157
PNG
(US9138494, Example 9)
Show SMILES FCCn1cc(c(n1)-c1ccc(OCc2ncc3ccccc3n2)cc1)-c1ccncc1
Show InChI InChI=1S/C25H20FN5O/c26-11-14-31-16-22(18-9-12-27-13-10-18)25(30-31)19-5-7-21(8-6-19)32-17-24-28-15-20-3-1-2-4-23(20)29-24/h1-10,12-13,15-16H,11,14,17H2
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US Patent
n/an/a 0.180n/an/an/an/an/an/a



AbbVie Inc.; AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The PDE enzymatic reaction was carried out in assay buffer (20 mM Tris-HCl pH7.5, 10 mM MgCl2, 0.1% bovine serum albumin) containing enzyme and subst...


US Patent US9138494 (2015)


BindingDB Entry DOI: 10.7270/Q23777GS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM181154
PNG
(US9138494, Example 2)
Show SMILES FCCn1cc(c(n1)-c1ccc(OCc2ccc3ncccc3n2)cc1)-c1ccncc1
Show InChI InChI=1S/C25H20FN5O/c26-11-15-31-16-22(18-9-13-27-14-10-18)25(30-31)19-3-6-21(7-4-19)32-17-20-5-8-23-24(29-20)2-1-12-28-23/h1-10,12-14,16H,11,15,17H2
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n/an/a 0.200n/an/an/an/an/an/a



AbbVie Inc.; AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The PDE enzymatic reaction was carried out in assay buffer (20 mM Tris-HCl pH7.5, 10 mM MgCl2, 0.1% bovine serum albumin) containing enzyme and subst...


US Patent US9138494 (2015)


BindingDB Entry DOI: 10.7270/Q23777GS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50419436
PNG
(CHEMBL1915747 | US9138494, JNJ-41510417)
Show SMILES FCCn1cc(c(n1)-c1ccc(OCc2ccc3ccccc3n2)cc1)-c1ccncc1
Show InChI InChI=1S/C26H21FN4O/c27-13-16-31-17-24(19-11-14-28-15-12-19)26(30-31)21-6-9-23(10-7-21)32-18-22-8-5-20-3-1-2-4-25(20)29-22/h1-12,14-15,17H,13,16,18H2
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n/an/a 0.630n/an/an/an/an/an/a



AbbVie Inc.; AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The PDE enzymatic reaction was carried out in assay buffer (20 mM Tris-HCl pH7.5, 10 mM MgCl2, 0.1% bovine serum albumin) containing enzyme and subst...


US Patent US9138494 (2015)


BindingDB Entry DOI: 10.7270/Q23777GS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50357701
PNG
(CHEMBL1915725 | US9138494, Janssen B-3)
Show SMILES Cc1cnc(COc2ccc(cc2)-c2nn(CCF)cc2-c2ccncc2)c(C)c1
Show InChI InChI=1S/C24H23FN4O/c1-17-13-18(2)23(27-14-17)16-30-21-5-3-20(4-6-21)24-22(15-29(28-24)12-9-25)19-7-10-26-11-8-19/h3-8,10-11,13-15H,9,12,16H2,1-2H3
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n/an/a 0.980n/an/an/an/an/an/a



AbbVie Inc.; AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The PDE enzymatic reaction was carried out in assay buffer (20 mM Tris-HCl pH7.5, 10 mM MgCl2, 0.1% bovine serum albumin) containing enzyme and subst...


US Patent US9138494 (2015)


BindingDB Entry DOI: 10.7270/Q23777GS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM181153
PNG
(US9138494, Example 1)
Show SMILES Cn1cc(c(n1)-c1ccc(OCc2ccc3ncccc3n2)cc1)-c1ccncc1
Show InChI InChI=1S/C24H19N5O/c1-29-15-21(17-10-13-25-14-11-17)24(28-29)18-4-7-20(8-5-18)30-16-19-6-9-22-23(27-19)3-2-12-26-22/h2-15H,16H2,1H3
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n/an/a 1.05n/an/an/an/an/an/a



AbbVie Inc.; AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The PDE enzymatic reaction was carried out in assay buffer (20 mM Tris-HCl pH7.5, 10 mM MgCl2, 0.1% bovine serum albumin) containing enzyme and subst...


US Patent US9138494 (2015)


BindingDB Entry DOI: 10.7270/Q23777GS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM31592
PNG
(PF-2545920 | US9138494, MP-10 | substituted pyraz...)
Show SMILES Cn1cc(c(n1)-c1ccc(OCc2ccc3ccccc3n2)cc1)-c1ccncc1
Show InChI InChI=1S/C25H20N4O/c1-29-16-23(18-12-14-26-15-13-18)25(28-29)20-7-10-22(11-8-20)30-17-21-9-6-19-4-2-3-5-24(19)27-21/h2-16H,17H2,1H3
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US Patent
n/an/a 1.68n/an/an/an/an/an/a



AbbVie Inc.; AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The PDE enzymatic reaction was carried out in assay buffer (20 mM Tris-HCl pH7.5, 10 mM MgCl2, 0.1% bovine serum albumin) containing enzyme and subst...


US Patent US9138494 (2015)


BindingDB Entry DOI: 10.7270/Q23777GS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM181156
PNG
(US9138494, Example 4)
Show SMILES Cn1cc(c(n1)-c1ccc(OCc2nc3ccccc3c(=O)n2C)cc1)-c1ccncc1
Show InChI InChI=1S/C25H21N5O2/c1-29-15-21(17-11-13-26-14-12-17)24(28-29)18-7-9-19(10-8-18)32-16-23-27-22-6-4-3-5-20(22)25(31)30(23)2/h3-15H,16H2,1-2H3
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n/an/a 2n/an/an/an/an/an/a



AbbVie Inc.; AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The PDE enzymatic reaction was carried out in assay buffer (20 mM Tris-HCl pH7.5, 10 mM MgCl2, 0.1% bovine serum albumin) containing enzyme and subst...


US Patent US9138494 (2015)


BindingDB Entry DOI: 10.7270/Q23777GS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM181155
PNG
(US9138494, Example 3)
Show SMILES FCCn1cc(c(n1)-c1ccc(OCc2nc3ccccc3o2)cc1)-c1ccncc1
Show InChI InChI=1S/C24H19FN4O2/c25-11-14-29-15-20(17-9-12-26-13-10-17)24(28-29)18-5-7-19(8-6-18)30-16-23-27-21-3-1-2-4-22(21)31-23/h1-10,12-13,15H,11,14,16H2
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n/an/a 4.70n/an/an/an/an/an/a



AbbVie Inc.; AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The PDE enzymatic reaction was carried out in assay buffer (20 mM Tris-HCl pH7.5, 10 mM MgCl2, 0.1% bovine serum albumin) containing enzyme and subst...


US Patent US9138494 (2015)


BindingDB Entry DOI: 10.7270/Q23777GS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%