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Patent code US9062060

Compile Data Set for Download or QSAR
Found 11 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))		BDBM127925
PNG
(US8796304, 2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-...)
Show SMILES Cc1cnc(C)c2nc(CCc3cn4Cc5cc(F)ccc5-c4n3)nn12
Show InChI InChI=1S/C19H17FN6/c1-11-8-21-12(2)18-23-17(24-26(11)18)6-4-15-10-25-9-13-7-14(20)3-5-16(13)19(25)22-15/h3,5,7-8,10H,4,6,9H2,1-2H3
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n/an/a 0.180n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (sufficient to convert 20-25% of the cyclic nucleotide s...

US Patent US9062060 (2015)


BindingDB Entry DOI: 10.7270/Q25719S0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM127929
PNG
(US8796304, 2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-...)
Show SMILES COc1ccc-2c(Cn3cc(CCc4nc5c(C)ncc(C)n5n4)nc-23)c1
Show InChI InChI=1S/C20H20N6O/c1-12-9-21-13(2)19-23-18(24-26(12)19)7-4-15-11-25-10-14-8-16(27-3)5-6-17(14)20(25)22-15/h5-6,8-9,11H,4,7,10H2,1-3H3
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n/an/a 0.290n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (sufficient to convert 20-25% of the cyclic nucleotide s...

US Patent US9062060 (2015)


BindingDB Entry DOI: 10.7270/Q25719S0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM127934
PNG
(US8796304, 2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-...)
Show SMILES COc1cccc-2c1Cn1cc(CCc3nc4c(C)ncc(C)n4n3)nc-21
Show InChI InChI=1S/C20H20N6O/c1-12-9-21-13(2)19-23-18(24-26(12)19)8-7-14-10-25-11-16-15(20(25)22-14)5-4-6-17(16)27-3/h4-6,9-10H,7-8,11H2,1-3H3
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n/an/a 0.440n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (sufficient to convert 20-25% of the cyclic nucleotide s...

US Patent US9062060 (2015)


BindingDB Entry DOI: 10.7270/Q25719S0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM127936
PNG
(US8796304, 2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-...)
Show SMILES COc1cccc2Cn3cc(CCc4nc5c(C)ncc(C)n5n4)nc3-c12
Show InChI InChI=1S/C20H20N6O/c1-12-9-21-13(2)19-23-17(24-26(12)19)8-7-15-11-25-10-14-5-4-6-16(27-3)18(14)20(25)22-15/h4-6,9,11H,7-8,10H2,1-3H3
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n/an/a 0.440n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (sufficient to convert 20-25% of the cyclic nucleotide s...

US Patent US9062060 (2015)


BindingDB Entry DOI: 10.7270/Q25719S0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM127932
PNG
(US8796304, 2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-...)
Show SMILES Cc1cnc(C)c2nc(CCc3cn4Cc5cccc(F)c5-c4n3)nn12
Show InChI InChI=1S/C19H17FN6/c1-11-8-21-12(2)18-23-16(24-26(11)18)7-6-14-10-25-9-13-4-3-5-15(20)17(13)19(25)22-14/h3-5,8,10H,6-7,9H2,1-2H3
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n/an/a 0.790n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (sufficient to convert 20-25% of the cyclic nucleotide s...

US Patent US9062060 (2015)


BindingDB Entry DOI: 10.7270/Q25719S0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM127926
PNG
(US8796304, 2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-...)
Show SMILES Cc1cnc(C)c2nc(CCc3cn4CCc5ccccc5-c4n3)nn12
Show InChI InChI=1S/C20H20N6/c1-13-11-21-14(2)19-23-18(24-26(13)19)8-7-16-12-25-10-9-15-5-3-4-6-17(15)20(25)22-16/h3-6,11-12H,7-10H2,1-2H3
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n/an/a 0.810n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (sufficient to convert 20-25% of the cyclic nucleotide s...

US Patent US9062060 (2015)


BindingDB Entry DOI: 10.7270/Q25719S0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM127931
PNG
(US8796304, 2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-...)
Show SMILES Cc1cnc(C)c2nc(CCc3cn4Cc5c(cccc5F)-c4n3)nn12
Show InChI InChI=1S/C19H17FN6/c1-11-8-21-12(2)18-23-17(24-26(11)18)7-6-13-9-25-10-15-14(19(25)22-13)4-3-5-16(15)20/h3-5,8-9H,6-7,10H2,1-2H3
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n/an/a 1.20n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (sufficient to convert 20-25% of the cyclic nucleotide s...

US Patent US9062060 (2015)


BindingDB Entry DOI: 10.7270/Q25719S0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM127927
PNG
(US8796304, 2-[2-(5,8-Dimethyl-7-oxy-[1,2,4]triazol...)
Show SMILES CC1N(O)C=C(C)n2nc(CCc3cn4Cc5ccccc5-c4n3)nc12 |t:4|
Show InChI InChI=1S/C19H20N6O/c1-12-9-24(26)13(2)18-21-17(22-25(12)18)8-7-15-11-23-10-14-5-3-4-6-16(14)19(23)20-15/h3-6,9,11,13,26H,7-8,10H2,1-2H3
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n/an/a 2.40n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (sufficient to convert 20-25% of the cyclic nucleotide s...

US Patent US9062060 (2015)


BindingDB Entry DOI: 10.7270/Q25719S0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM127923
PNG
(US8796304, 2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-...)
Show SMILES Cc1cnc(C)c2nc(C=Cc3cn4Cc5ccccc5-c4n3)nn12 |w:10.10|
Show InChI InChI=1S/C19H16N6/c1-12-9-20-13(2)18-22-17(23-25(12)18)8-7-15-11-24-10-14-5-3-4-6-16(14)19(24)21-15/h3-9,11H,10H2,1-2H3
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n/an/a 4.40n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (sufficient to convert 20-25% of the cyclic nucleotide s...

US Patent US9062060 (2015)


BindingDB Entry DOI: 10.7270/Q25719S0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM127922
PNG
(US8796304, 2-[2-(5-Methyl-[1,2,4]triazolo[1,5-a]py...)
Show SMILES Cc1cccc2nc(CCc3cn4Cc5ccccc5-c4n3)nn12
Show InChI InChI=1S/C19H17N5/c1-13-5-4-8-18-21-17(22-24(13)18)10-9-15-12-23-11-14-6-2-3-7-16(14)19(23)20-15/h2-8,12H,9-11H2,1H3
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n/an/a 6.10n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (sufficient to convert 20-25% of the cyclic nucleotide s...

US Patent US9062060 (2015)


BindingDB Entry DOI: 10.7270/Q25719S0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM127924
PNG
(US8796304, {2-[2-(5H-Imidazo[2,1-a]isoindol-2-yl)-...)
Show SMILES Cc1cnc(CO)c2nc(CCc3cn4Cc5ccccc5-c4n3)nn12
Show InChI InChI=1S/C19H18N6O/c1-12-8-20-16(11-26)19-22-17(23-25(12)19)7-6-14-10-24-9-13-4-2-3-5-15(13)18(24)21-14/h2-5,8,10,26H,6-7,9,11H2,1H3
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n/an/a 6.90n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (sufficient to convert 20-25% of the cyclic nucleotide s...

US Patent US9062060 (2015)


BindingDB Entry DOI: 10.7270/Q25719S0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%