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Patent code US9428492

Compile Data Set for Download or QSAR
Found 54 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
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244119
PNG
(US9428492, 3 | US9428492, 3a | US9428492, 3b)
Show SMILES Cc1nc(C(O)C(F)(F)F)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C21H21F3N8O/c1-11-25-16(8-17(26-11)32-20(27-12(2)29-32)18(33)21(22,23)24)31-9-13(10-31)19-28-14-6-4-5-7-15(14)30(19)3/h4-8,13,18,33H,9-10H2,1-3H3
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US Patent
0.0600n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244145
PNG
(US9428492, 15)
Show SMILES Cc1nc([C@H](O)c2ccccc2)n(n1)-c1cc(nc(C)n1)C1C[C@H]1c1nc2ccccc2n1C
Show InChI InChI=1S/C26H25N7O/c1-15-27-21(18-13-19(18)25-30-20-11-7-8-12-22(20)32(25)3)14-23(28-15)33-26(29-16(2)31-33)24(34)17-9-5-4-6-10-17/h4-12,14,18-19,24,34H,13H2,1-3H3/t18?,19-,24-/m1/s1
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0.0900n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244119
PNG
(US9428492, 3 | US9428492, 3a | US9428492, 3b)
Show SMILES Cc1nc(C(O)C(F)(F)F)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C21H21F3N8O/c1-11-25-16(8-17(26-11)32-20(27-12(2)29-32)18(33)21(22,23)24)31-9-13(10-31)19-28-14-6-4-5-7-15(14)30(19)3/h4-8,13,18,33H,9-10H2,1-3H3
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0.110n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244137
PNG
(US9428492, 10 | US9428492, 10a | US9428492, 10b)
Show SMILES CC(O)c1nc(C)nn1-c1cc(nc(n1)C1CC1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C23H26N8O/c1-13(32)22-24-14(2)28-31(22)20-10-19(26-21(27-20)15-8-9-15)30-11-16(12-30)23-25-17-6-4-5-7-18(17)29(23)3/h4-7,10,13,15-16,32H,8-9,11-12H2,1-3H3
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0.130n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244127
PNG
(US9428492, 6 | US9428492, 6a | US9428492, 6b)
Show SMILES Cc1nc(C(O)C2CC2)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C23H26N8O/c1-13-24-19(10-20(25-13)31-23(26-14(2)28-31)21(32)15-8-9-15)30-11-16(12-30)22-27-17-6-4-5-7-18(17)29(22)3/h4-7,10,15-16,21,32H,8-9,11-12H2,1-3H3
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0.170n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244137
PNG
(US9428492, 10 | US9428492, 10a | US9428492, 10b)
Show SMILES CC(O)c1nc(C)nn1-c1cc(nc(n1)C1CC1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C23H26N8O/c1-13(32)22-24-14(2)28-31(22)20-10-19(26-21(27-20)15-8-9-15)30-11-16(12-30)23-25-17-6-4-5-7-18(17)29(23)3/h4-7,10,13,15-16,32H,8-9,11-12H2,1-3H3
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0.210n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244117
PNG
(US9428492, 1 | US9428492, 2)
Show SMILES C[C@@H](O)c1nc(C)nn1-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C21H24N8O/c1-12(30)20-24-14(3)26-29(20)19-9-18(22-13(2)23-19)28-10-15(11-28)21-25-16-7-5-6-8-17(16)27(21)4/h5-9,12,15,30H,10-11H2,1-4H3/t12-/m1/s1
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0.230n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244124
PNG
(US9428492, 5 | US9428492, 5a | US9428492, 5b)
Show SMILES CC(C)C(O)c1nc(C)nn1-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C23H28N8O/c1-13(2)21(32)23-26-15(4)28-31(23)20-10-19(24-14(3)25-20)30-11-16(12-30)22-27-17-8-6-7-9-18(17)29(22)5/h6-10,13,16,21,32H,11-12H2,1-5H3
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0.340n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244142
PNG
(US9428492, 12)
Show SMILES Cc1nc(C(O)CF)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C21H23FN8O/c1-12-23-18(8-19(24-12)30-21(17(31)9-22)25-13(2)27-30)29-10-14(11-29)20-26-15-6-4-5-7-16(15)28(20)3/h4-8,14,17,31H,9-11H2,1-3H3
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Merck Sharp & Dohme Corp.

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Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244148
PNG
(US9428492, 18)
Show SMILES C[C@H](O)c1nc(C)nn1-c1cc(nc(n1)C1CC1)C1C[C@H]1c1nc2ccccc2n1C
Show InChI InChI=1S/C23H25N7O/c1-12(31)22-24-13(2)28-30(22)20-11-18(25-21(27-20)14-8-9-14)15-10-16(15)23-26-17-6-4-5-7-19(17)29(23)3/h4-7,11-12,14-16,31H,8-10H2,1-3H3/t12-,15?,16+/m0/s1
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0.360n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244127
PNG
(US9428492, 6 | US9428492, 6a | US9428492, 6b)
Show SMILES Cc1nc(C(O)C2CC2)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C23H26N8O/c1-13-24-19(10-20(25-13)31-23(26-14(2)28-31)21(32)15-8-9-15)30-11-16(12-30)22-27-17-6-4-5-7-18(17)29(22)3/h4-7,10,15-16,21,32H,8-9,11-12H2,1-3H3
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0.360n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244137
PNG
(US9428492, 10 | US9428492, 10a | US9428492, 10b)
Show SMILES CC(O)c1nc(C)nn1-c1cc(nc(n1)C1CC1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C23H26N8O/c1-13(32)22-24-14(2)28-31(22)20-10-19(26-21(27-20)15-8-9-15)30-11-16(12-30)23-25-17-6-4-5-7-18(17)29(23)3/h4-7,10,13,15-16,32H,8-9,11-12H2,1-3H3
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0.390n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244124
PNG
(US9428492, 5 | US9428492, 5a | US9428492, 5b)
Show SMILES CC(C)C(O)c1nc(C)nn1-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C23H28N8O/c1-13(2)21(32)23-26-15(4)28-31(23)20-10-19(24-14(3)25-20)30-11-16(12-30)22-27-17-8-6-7-9-18(17)29(22)5/h6-10,13,16,21,32H,11-12H2,1-5H3
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0.410n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244121
PNG
(US9428492, 4 | US9428492, 4a | US9428492, 4b)
Show SMILES CCC(O)c1nc(C)nn1-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C22H26N8O/c1-5-18(31)22-25-14(3)27-30(22)20-10-19(23-13(2)24-20)29-11-15(12-29)21-26-16-8-6-7-9-17(16)28(21)4/h6-10,15,18,31H,5,11-12H2,1-4H3
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0.410n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244154
PNG
(US9428492, 21)
Show SMILES CC(C)C(O)c1nc(C)nn1-c1cc(nc(C)n1)C1C[C@H]1c1nc2ccccc2n1C
Show InChI InChI=1S/C23H27N7O/c1-12(2)21(31)23-26-14(4)28-30(23)20-11-18(24-13(3)25-20)15-10-16(15)22-27-17-8-6-7-9-19(17)29(22)5/h6-9,11-12,15-16,21,31H,10H2,1-5H3/t15?,16-,21?/m1/s1
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0.470n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244157
PNG
(US9428492, C)
Show SMILES COCc1nc(C)nn1-c1cc(nc(C)n1)C1C[C@H]1c1nc2ccccc2n1C
Show InChI InChI=1S/C21H23N7O/c1-12-22-17(10-19(23-12)28-20(11-29-4)24-13(2)26-28)14-9-15(14)21-25-16-7-5-6-8-18(16)27(21)3/h5-8,10,14-15H,9,11H2,1-4H3/t14?,15-/m1/s1
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0.490n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244121
PNG
(US9428492, 4 | US9428492, 4a | US9428492, 4b)
Show SMILES CCC(O)c1nc(C)nn1-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C22H26N8O/c1-5-18(31)22-25-14(3)27-30(22)20-10-19(23-13(2)24-20)29-11-15(12-29)21-26-16-8-6-7-9-17(16)28(21)4/h6-10,15,18,31H,5,11-12H2,1-4H3
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0.510n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244133
PNG
(US9428492, 8 | US9428492, 8a | US9428492, 8b)
Show SMILES CC(O)c1nc(C)nn1-c1cc(nc(n1)C(F)(F)F)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C21H21F3N8O/c1-11(33)18-25-12(2)29-32(18)17-8-16(27-20(28-17)21(22,23)24)31-9-13(10-31)19-26-14-6-4-5-7-15(14)30(19)3/h4-8,11,13,33H,9-10H2,1-3H3
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0.530n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244149
PNG
(US9428492, 19 | US9428492, 19a)
Show SMILES CCC(O)c1nc(C)nn1-c1cc(nc(C)n1)C1C[C@H]1c1nc2ccccc2n1C
Show InChI InChI=1S/C22H25N7O/c1-5-19(30)22-25-13(3)27-29(22)20-11-17(23-12(2)24-20)14-10-15(14)21-26-16-8-6-7-9-18(16)28(21)4/h6-9,11,14-15,19,30H,5,10H2,1-4H3/t14?,15-,19?/m1/s1
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0.550n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244151
PNG
(US9428492, 20 | US9428492, 20a | US9428492, 20b)
Show SMILES Cc1nc(C(O)C(F)(F)F)n(n1)-c1cc(nc(C)n1)C1C[C@H]1c1nc2ccccc2n1C
Show InChI InChI=1S/C21H20F3N7O/c1-10-25-15(12-8-13(12)19-28-14-6-4-5-7-16(14)30(19)3)9-17(26-10)31-20(27-11(2)29-31)18(32)21(22,23)24/h4-7,9,12-13,18,32H,8H2,1-3H3/t12?,13-,18?/m1/s1
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0.550n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244151
PNG
(US9428492, 20 | US9428492, 20a | US9428492, 20b)
Show SMILES Cc1nc(C(O)C(F)(F)F)n(n1)-c1cc(nc(C)n1)C1C[C@H]1c1nc2ccccc2n1C
Show InChI InChI=1S/C21H20F3N7O/c1-10-25-15(12-8-13(12)19-28-14-6-4-5-7-16(14)30(19)3)9-17(26-10)31-20(27-11(2)29-31)18(32)21(22,23)24/h4-7,9,12-13,18,32H,8H2,1-3H3/t12?,13-,18?/m1/s1
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0.580n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244159
PNG
(US9428492, 19b)
Show SMILES CCC(O)c1nc(C)nn1-c1cc(nc(C)n1)[C@@H]1C[C@H]1c1nc2ccccc2n1C
Show InChI InChI=1S/C22H25N7O/c1-5-19(30)22-25-13(3)27-29(22)20-11-17(23-12(2)24-20)14-10-15(14)21-26-16-8-6-7-9-18(16)28(21)4/h6-9,11,14-15,19,30H,5,10H2,1-4H3/t14-,15-,19?/m1/s1
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0.590n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244146
PNG
(US9428492, 16)
Show SMILES Cc1nc([C@@H](O)c2ccccc2)n(n1)-c1cc(nc(C)n1)C1C[C@H]1c1nc2ccccc2n1C
Show InChI InChI=1S/C26H25N7O/c1-15-27-21(18-13-19(18)25-30-20-11-7-8-12-22(20)32(25)3)14-23(28-15)33-26(29-16(2)31-33)24(34)17-9-5-4-6-10-17/h4-12,14,18-19,24,34H,13H2,1-3H3/t18?,19-,24+/m1/s1
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The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


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More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244140
PNG
(US9428492, 11a | US9428492, 11b)
Show SMILES Cc1nc(C(O)C(F)F)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C21H22F2N8O/c1-11-24-16(8-17(25-11)31-21(18(32)19(22)23)26-12(2)28-31)30-9-13(10-30)20-27-14-6-4-5-7-15(14)29(20)3/h4-8,13,18-19,32H,9-10H2,1-3H3
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The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


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More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244143
PNG
(US9428492, 13)
Show SMILES C[C@H](O)c1nc(C)nn1-c1cc(nc(C)n1)C1C[C@H]1c1nc2ccccc2n1C
Show InChI InChI=1S/C21H23N7O/c1-11(29)20-24-13(3)26-28(20)19-10-17(22-12(2)23-19)14-9-15(14)21-25-16-7-5-6-8-18(16)27(21)4/h5-8,10-11,14-15,29H,9H2,1-4H3/t11-,14?,15+/m0/s1
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The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


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More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244124
PNG
(US9428492, 5 | US9428492, 5a | US9428492, 5b)
Show SMILES CC(C)C(O)c1nc(C)nn1-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C23H28N8O/c1-13(2)21(32)23-26-15(4)28-31(23)20-10-19(24-14(3)25-20)30-11-16(12-30)22-27-17-8-6-7-9-18(17)29(22)5/h6-10,13,16,21,32H,11-12H2,1-5H3
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The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


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More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244133
PNG
(US9428492, 8 | US9428492, 8a | US9428492, 8b)
Show SMILES CC(O)c1nc(C)nn1-c1cc(nc(n1)C(F)(F)F)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C21H21F3N8O/c1-11(33)18-25-12(2)29-32(18)17-8-16(27-20(28-17)21(22,23)24)31-9-13(10-31)19-26-14-6-4-5-7-15(14)30(19)3/h4-8,11,13,33H,9-10H2,1-3H3
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The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


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More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244151
PNG
(US9428492, 20 | US9428492, 20a | US9428492, 20b)
Show SMILES Cc1nc(C(O)C(F)(F)F)n(n1)-c1cc(nc(C)n1)C1C[C@H]1c1nc2ccccc2n1C
Show InChI InChI=1S/C21H20F3N7O/c1-10-25-15(12-8-13(12)19-28-14-6-4-5-7-16(14)30(19)3)9-17(26-10)31-20(27-11(2)29-31)18(32)21(22,23)24/h4-7,9,12-13,18,32H,8H2,1-3H3/t12?,13-,18?/m1/s1
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Merck Sharp & Dohme Corp.

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The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


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More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244133
PNG
(US9428492, 8 | US9428492, 8a | US9428492, 8b)
Show SMILES CC(O)c1nc(C)nn1-c1cc(nc(n1)C(F)(F)F)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C21H21F3N8O/c1-11(33)18-25-12(2)29-32(18)17-8-16(27-20(28-17)21(22,23)24)31-9-13(10-31)19-26-14-6-4-5-7-15(14)30(19)3/h4-8,11,13,33H,9-10H2,1-3H3
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The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


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More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244119
PNG
(US9428492, 3 | US9428492, 3a | US9428492, 3b)
Show SMILES Cc1nc(C(O)C(F)(F)F)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C21H21F3N8O/c1-11-25-16(8-17(26-11)32-20(27-12(2)29-32)18(33)21(22,23)24)31-9-13(10-31)19-28-14-6-4-5-7-15(14)30(19)3/h4-8,13,18,33H,9-10H2,1-3H3
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The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


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More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244144
PNG
(US9428492, 14)
Show SMILES C[C@@H](O)c1nc(C)nn1-c1cc(nc(C)n1)C1C[C@H]1c1nc2ccccc2n1C
Show InChI InChI=1S/C21H23N7O/c1-11(29)20-24-13(3)26-28(20)19-10-17(22-12(2)23-19)14-9-15(14)21-25-16-7-5-6-8-18(16)27(21)4/h5-8,10-11,14-15,29H,9H2,1-4H3/t11-,14?,15-/m1/s1
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The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


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More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244136
PNG
(US9428492, 9)
Show SMILES COc1nc(cc(n1)-n1nc(C)nc1C(C)O)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C21H24N8O2/c1-12(30)19-22-13(2)26-29(19)18-9-17(24-21(25-18)31-4)28-10-14(11-28)20-23-15-7-5-6-8-16(15)27(20)3/h5-9,12,14,30H,10-11H2,1-4H3
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The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


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More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244117
PNG
(US9428492, 1 | US9428492, 2)
Show SMILES C[C@@H](O)c1nc(C)nn1-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C21H24N8O/c1-12(30)20-24-14(3)26-29(20)19-9-18(22-13(2)23-19)28-10-15(11-28)21-25-16-7-5-6-8-17(16)27(21)4/h5-9,12,15,30H,10-11H2,1-4H3/t12-/m1/s1
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The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


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More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244149
PNG
(US9428492, 19 | US9428492, 19a)
Show SMILES CCC(O)c1nc(C)nn1-c1cc(nc(C)n1)C1C[C@H]1c1nc2ccccc2n1C
Show InChI InChI=1S/C22H25N7O/c1-5-19(30)22-25-13(3)27-29(22)20-11-17(23-12(2)24-20)14-10-15(14)21-26-16-8-6-7-9-18(16)28(21)4/h6-9,11,14-15,19,30H,5,10H2,1-4H3/t14?,15-,19?/m1/s1
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The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


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More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244121
PNG
(US9428492, 4 | US9428492, 4a | US9428492, 4b)
Show SMILES CCC(O)c1nc(C)nn1-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C22H26N8O/c1-5-18(31)22-25-14(3)27-30(22)20-10-19(23-13(2)24-20)29-11-15(12-29)21-26-16-8-6-7-9-17(16)28(21)4/h6-10,15,18,31H,5,11-12H2,1-4H3
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The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


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More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244156
PNG
(US9428492, B)
Show SMILES CO[C@H](C)c1nc(C)nn1-c1cc(nc(C)n1)C1C[C@H]1c1nc2ccccc2n1C
Show InChI InChI=1S/C22H25N7O/c1-12(30-5)21-25-14(3)27-29(21)20-11-18(23-13(2)24-20)15-10-16(15)22-26-17-8-6-7-9-19(17)28(22)4/h6-9,11-12,15-16H,10H2,1-5H3/t12-,15?,16-/m1/s1
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The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


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More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244130
PNG
(US9428492, 7 | US9428492, 7a | US9428492, 7b)
Show SMILES Cc1nc(C(O)CC(F)(F)F)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C22H23F3N8O/c1-12-26-18(32-10-14(11-32)20-29-15-6-4-5-7-16(15)31(20)3)8-19(27-12)33-21(28-13(2)30-33)17(34)9-22(23,24)25/h4-8,14,17,34H,9-11H2,1-3H3
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The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


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More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244127
PNG
(US9428492, 6 | US9428492, 6a | US9428492, 6b)
Show SMILES Cc1nc(C(O)C2CC2)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C23H26N8O/c1-13-24-19(10-20(25-13)31-23(26-14(2)28-31)21(32)15-8-9-15)30-11-16(12-30)22-27-17-6-4-5-7-18(17)29(22)3/h4-7,10,15-16,21,32H,8-9,11-12H2,1-3H3
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The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


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More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244147
PNG
(US9428492, 17)
Show SMILES C[C@H](O)c1nc(C)nn1-c1cc(nc(n1)C(F)(F)F)C1C[C@H]1c1nc2ccccc2n1C
Show InChI InChI=1S/C21H20F3N7O/c1-10(32)18-25-11(2)29-31(18)17-9-15(27-20(28-17)21(22,23)24)12-8-13(12)19-26-14-6-4-5-7-16(14)30(19)3/h4-7,9-10,12-13,32H,8H2,1-3H3/t10-,12?,13+/m0/s1
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The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


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More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244140
PNG
(US9428492, 11a | US9428492, 11b)
Show SMILES Cc1nc(C(O)C(F)F)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C21H22F2N8O/c1-11-24-16(8-17(25-11)31-21(18(32)19(22)23)26-12(2)28-31)30-9-13(10-30)20-27-14-6-4-5-7-15(14)29(20)3/h4-8,13,18-19,32H,9-10H2,1-3H3
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Merck Sharp & Dohme Corp.

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Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


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More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244130
PNG
(US9428492, 7 | US9428492, 7a | US9428492, 7b)
Show SMILES Cc1nc(C(O)CC(F)(F)F)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C22H23F3N8O/c1-12-26-18(32-10-14(11-32)20-29-15-6-4-5-7-16(15)31(20)3)8-19(27-12)33-21(28-13(2)30-33)17(34)9-22(23,24)25/h4-8,14,17,34H,9-11H2,1-3H3
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The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


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More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244155
PNG
(US9428492, A)
Show SMILES Cc1nc(n(n1)-c1cc(nc(C)n1)C1C[C@H]1c1nc2ccccc2n1C)C(C)(C)O
Show InChI InChI=1S/C22H25N7O/c1-12-23-17(11-19(24-12)29-21(22(3,4)30)25-13(2)27-29)14-10-15(14)20-26-16-8-6-7-9-18(16)28(20)5/h6-9,11,14-15,30H,10H2,1-5H3/t14?,15-/m1/s1
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The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


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More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244130
PNG
(US9428492, 7 | US9428492, 7a | US9428492, 7b)
Show SMILES Cc1nc(C(O)CC(F)(F)F)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C22H23F3N8O/c1-12-26-18(32-10-14(11-32)20-29-15-6-4-5-7-16(15)31(20)3)8-19(27-12)33-21(28-13(2)30-33)17(34)9-22(23,24)25/h4-8,14,17,34H,9-11H2,1-3H3
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Merck Sharp & Dohme Corp.

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Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


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More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM244156
PNG
(US9428492, B)
Show SMILES CO[C@H](C)c1nc(C)nn1-c1cc(nc(C)n1)C1C[C@H]1c1nc2ccccc2n1C
Show InChI InChI=1S/C22H25N7O/c1-12(30-5)21-25-14(3)27-29(21)20-11-18(23-13(2)24-20)15-10-16(15)22-26-17-8-6-7-9-19(17)28(22)4/h6-9,11-12,15-16H,10H2,1-5H3/t12-,15?,16-/m1/s1
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n/an/a 1.05E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using CYP2C9


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More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM244157
PNG
(US9428492, C)
Show SMILES COCc1nc(C)nn1-c1cc(nc(C)n1)C1C[C@H]1c1nc2ccccc2n1C
Show InChI InChI=1S/C21H23N7O/c1-12-22-17(10-19(23-12)28-20(11-29-4)24-13(2)26-28)14-9-15(14)21-25-16-7-5-6-8-18(16)27(21)3/h5-8,10,14-15H,9,11H2,1-4H3/t14?,15-/m1/s1
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n/an/a 4.60E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using CYP2C9


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM244117
PNG
(US9428492, 1 | US9428492, 2)
Show SMILES C[C@@H](O)c1nc(C)nn1-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C21H24N8O/c1-12(30)20-24-14(3)26-29(20)19-9-18(22-13(2)23-19)28-10-15(11-28)21-25-16-7-5-6-8-17(16)27(21)4/h5-9,12,15,30H,10-11H2,1-4H3/t12-/m1/s1
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US Patent
n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using CYP2C9


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM244143
PNG
(US9428492, 13)
Show SMILES C[C@H](O)c1nc(C)nn1-c1cc(nc(C)n1)C1C[C@H]1c1nc2ccccc2n1C
Show InChI InChI=1S/C21H23N7O/c1-11(29)20-24-13(3)26-28(20)19-10-17(22-12(2)23-19)14-9-15(14)21-25-16-7-5-6-8-18(16)27(21)4/h5-8,10-11,14-15,29H,9H2,1-4H3/t11-,14?,15+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using CYP2C9


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM244117
PNG
(US9428492, 1 | US9428492, 2)
Show SMILES C[C@@H](O)c1nc(C)nn1-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C21H24N8O/c1-12(30)20-24-14(3)26-29(20)19-9-18(22-13(2)23-19)28-10-15(11-28)21-25-16-7-5-6-8-17(16)27(21)4/h5-9,12,15,30H,10-11H2,1-4H3/t12-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using CYP2C9


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM244119
PNG
(US9428492, 3 | US9428492, 3a | US9428492, 3b)
Show SMILES Cc1nc(C(O)C(F)(F)F)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C21H21F3N8O/c1-11-25-16(8-17(26-11)32-20(27-12(2)29-32)18(33)21(22,23)24)31-9-13(10-31)19-28-14-6-4-5-7-15(14)30(19)3/h4-8,13,18,33H,9-10H2,1-3H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using CYP2C9


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM244155
PNG
(US9428492, A)
Show SMILES Cc1nc(n(n1)-c1cc(nc(C)n1)C1C[C@H]1c1nc2ccccc2n1C)C(C)(C)O
Show InChI InChI=1S/C22H25N7O/c1-12-23-17(11-19(24-12)29-21(22(3,4)30)25-13(2)27-29)14-10-15(14)20-26-16-8-6-7-9-18(16)28(20)5/h6-9,11,14-15,30H,10H2,1-5H3/t14?,15-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using CYP2C9


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM244127
PNG
(US9428492, 6 | US9428492, 6a | US9428492, 6b)
Show SMILES Cc1nc(C(O)C2CC2)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C23H26N8O/c1-13-24-19(10-20(25-13)31-23(26-14(2)28-31)21(32)15-8-9-15)30-11-16(12-30)22-27-17-6-4-5-7-18(17)29(22)3/h4-7,10,15-16,21,32H,8-9,11-12H2,1-3H3
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using CYP2C9


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM244149
PNG
(US9428492, 19 | US9428492, 19a)
Show SMILES CCC(O)c1nc(C)nn1-c1cc(nc(C)n1)C1C[C@H]1c1nc2ccccc2n1C
Show InChI InChI=1S/C22H25N7O/c1-5-19(30)22-25-13(3)27-29(22)20-11-17(23-12(2)24-20)14-10-15(14)21-26-16-8-6-7-9-18(16)28(21)4/h6-9,11,14-15,19,30H,5,10H2,1-4H3/t14?,15-,19?/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using CYP2C9


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM244144
PNG
(US9428492, 14)
Show SMILES C[C@@H](O)c1nc(C)nn1-c1cc(nc(C)n1)C1C[C@H]1c1nc2ccccc2n1C
Show InChI InChI=1S/C21H23N7O/c1-11(29)20-24-13(3)26-28(20)19-10-17(22-12(2)23-19)14-9-15(14)21-25-16-7-5-6-8-18(16)27(21)4/h5-8,10-11,14-15,29H,9H2,1-4H3/t11-,14?,15-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using CYP2C9


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM244121
PNG
(US9428492, 4 | US9428492, 4a | US9428492, 4b)
Show SMILES CCC(O)c1nc(C)nn1-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C22H26N8O/c1-5-18(31)22-25-14(3)27-30(22)20-10-19(23-13(2)24-20)29-11-15(12-29)21-26-16-8-6-7-9-17(16)28(21)4/h6-10,15,18,31H,5,11-12H2,1-4H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using CYP2C9


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%