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Patent code US10287293

Compile Data Set for Download or QSAR
Found 45 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
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM385987
PNG
((R)- or (S)-5- (hydroxymethyl)-2- methyl-7-(1-(4-(...)
Show SMILES CC(c1nc(CO)c2n1nc(C)[nH]c2=O)c1ccc(cc1)C1(C)CC1
Show InChI InChI=1/C19H22N4O2/c1-11(13-4-6-14(7-5-13)19(3)8-9-19)17-21-15(10-24)16-18(25)20-12(2)22-23(16)17/h4-7,11,24H,8-10H2,1-3H3,(H,20,22,25)
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0.400n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM385981
PNG
((R)- or (S)-7-(1-(2- fluoro-4- (trifluoromethyl) p...)
Show SMILES CC(c1nc(CO)c2n1nc(C)[nH]c2=O)c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1/C16H14F4N4O2/c1-7(10-4-3-9(5-11(10)17)16(18,19)20)14-22-12(6-25)13-15(26)21-8(2)23-24(13)14/h3-5,7,25H,6H2,1-2H3,(H,21,23,26)
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0.800n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM385968
PNG
((R)- or (S)-3- (1-(3- Fluoro- 4- (trifluoro- meth...)
Show SMILES CC(c1nn(CCF)c2c1nc(C)[nH]c2=O)c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1/C17H15F5N4O/c1-8(10-3-4-11(12(19)7-10)17(20,21)22)13-14-15(26(25-13)6-5-18)16(27)24-9(2)23-14/h3-4,7-8H,5-6H2,1-2H3,(H,23,24,27)
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0.900n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM385985
PNG
((R)- or (S)-7-(1-(3- fluoro-4- (trifluoromethyl) p...)
Show SMILES CC(c1nc(CO)c2n1nc(C)[nH]c2=O)c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1/C16H14F4N4O2/c1-7(9-3-4-10(11(17)5-9)16(18,19)20)14-22-12(6-25)13-15(26)21-8(2)23-24(13)14/h3-5,7,25H,6H2,1-2H3,(H,21,23,26)
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1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM385968
PNG
((R)- or (S)-3- (1-(3- Fluoro- 4- (trifluoro- meth...)
Show SMILES CC(c1nn(CCF)c2c1nc(C)[nH]c2=O)c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1/C17H15F5N4O/c1-8(10-3-4-11(12(19)7-10)17(20,21)22)13-14-15(26(25-13)6-5-18)16(27)24-9(2)23-14/h3-4,7-8H,5-6H2,1-2H3,(H,23,24,27)
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1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM385958
PNG
((R)- or (S)-3- (1-(3- Fluoro- 4- (trifluoro- meth...)
Show SMILES CC(c1nn(CCO)c2c1nc(C)[nH]c2=O)c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1/C17H16F4N4O2/c1-8(10-3-4-11(12(18)7-10)17(19,20)21)13-14-15(25(24-13)5-6-26)16(27)23-9(2)22-14/h3-4,7-8,26H,5-6H2,1-2H3,(H,22,23,27)
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1.10n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM385983
PNG
((R)- or (S)-5- (hydroxymethyl)-2- methyl-7-(1-(4- ...)
Show SMILES CC(c1nc(CO)c2n1nc(C)[nH]c2=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C16H15F3N4O3/c1-8(10-3-5-11(6-4-10)26-16(17,18)19)14-21-12(7-24)13-15(25)20-9(2)22-23(13)14/h3-6,8,24H,7H2,1-2H3,(H,20,22,25)
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1.20n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM385979
PNG
(US10287293, Example 28 | US10287293, Example 29)
Show SMILES C[C@@H](c1nc(CO)c2n1nc(C)[nH]c2=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C16H15F3N4O2/c1-8(10-3-5-11(6-4-10)16(17,18)19)14-21-12(7-24)13-15(25)20-9(2)22-23(13)14/h3-6,8,24H,7H2,1-2H3,(H,20,22,25)/t8-/s2
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1.20n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM385966
PNG
((R)- or (S)-3- (1-(4- (tert- Butyl) phenyl) ethyl...)
Show SMILES CC(c1nn(CCF)c2c1nc(C)[nH]c2=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1/C20H25FN4O/c1-12(14-6-8-15(9-7-14)20(3,4)5)16-17-18(25(24-16)11-10-21)19(26)23-13(2)22-17/h6-9,12H,10-11H2,1-5H3,(H,22,23,26)
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1.30n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM385954
PNG
(US10287293, Example 3 | US10287293, Example 4)
Show SMILES C[C@H](c1nn(CCO)c2c1nc(C)[nH]c2=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C17H17F3N4O2/c1-9(11-3-5-12(6-4-11)17(18,19)20)13-14-15(24(23-13)7-8-25)16(26)22-10(2)21-14/h3-6,9,25H,7-8H2,1-2H3,(H,21,22,26)/t9-/s2
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1.70n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM385991
PNG
(US10287293, Example 40)
Show SMILES C[C@@H](c1nc(CCO)c2n1nc(C)[nH]c2=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C17H17F3N4O2/c1-9(11-3-5-12(6-4-11)17(18,19)20)15-22-13(7-8-25)14-16(26)21-10(2)23-24(14)15/h3-6,9,25H,7-8H2,1-2H3,(H,21,23,26)/t9-/s2
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1.70n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM385964
PNG
(US10287293, Example 13 | US10287293, Example 14)
Show SMILES C[C@@H](c1nn(CCF)c2c1nc(C)[nH]c2=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C17H16F4N4O/c1-9(11-3-5-12(6-4-11)17(19,20)21)13-14-15(25(24-13)8-7-18)16(26)23-10(2)22-14/h3-6,9H,7-8H2,1-2H3,(H,22,23,26)/t9-/s2
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1.80n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM385956
PNG
((R)- or (S)-3-(1- (4-(tert- Butyl) phenyl) ethyl)...)
Show SMILES CC(c1nn(CCO)c2c1nc(C)[nH]c2=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1/C20H26N4O2/c1-12(14-6-8-15(9-7-14)20(3,4)5)16-17-18(24(23-16)10-11-25)19(26)22-13(2)21-17/h6-9,12,25H,10-11H2,1-5H3,(H,21,22,26)
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2.70n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM385989
PNG
(US10287293, Example 38)
Show SMILES CC(c1nc(CC#N)c2n1nc(C)[nH]c2=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C17H14F3N5O/c1-9(11-3-5-12(6-4-11)17(18,19)20)15-23-13(7-8-21)14-16(26)22-10(2)24-25(14)15/h3-6,9H,7H2,1-2H3,(H,22,24,26)
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6.10n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM385962
PNG
(US10287293, Example 11 | US10287293, Example 12)
Show SMILES C[C@@H](c1nn(CC(F)(F)F)c2c1nc(C)[nH]c2=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C17H14F6N4O/c1-8(10-3-5-11(6-4-10)17(21,22)23)12-13-14(15(28)25-9(2)24-13)27(26-12)7-16(18,19)20/h3-6,8H,7H2,1-2H3,(H,24,25,28)/t8-/s2
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6.30n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM385974
PNG
(US10287293, Example 23 | US10287293, Example 24)
Show SMILES C[C@@H](CO)n1nc([C@@H](C)c2ccc(cc2)C(F)(F)F)c2nc(C)[nH]c(=O)c12
Show InChI InChI=1/C18H19F3N4O2/c1-9(8-26)25-16-15(22-11(3)23-17(16)27)14(24-25)10(2)12-4-6-13(7-5-12)18(19,20)21/h4-7,9-10,26H,8H2,1-3H3,(H,22,23,27)/t9-,10-/s2
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6.70n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM385962
PNG
(US10287293, Example 11 | US10287293, Example 12)
Show SMILES C[C@@H](c1nn(CC(F)(F)F)c2c1nc(C)[nH]c2=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C17H14F6N4O/c1-8(10-3-5-11(6-4-10)17(21,22)23)12-13-14(15(28)25-9(2)24-13)27(26-12)7-16(18,19)20/h3-6,8H,7H2,1-2H3,(H,24,25,28)/t8-/s2
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7n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM385952
PNG
(US10287293, Example 1 | US10287293, Example 2)
Show SMILES C[C@@H](c1n[nH]c2c1nc(C)[nH]c2=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H11F3N4O/c1-7(9-3-5-10(6-4-9)15(16,17)18)11-12-13(22-21-11)14(23)20-8(2)19-12/h3-7H,1-2H3/t7-/m1/s1
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15.2n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM385972
PNG
(US10287293, Example 21 | US10287293, Example 22)
Show SMILES C[C@H](CO)n1nc([C@@H](C)c2ccc(cc2)C(F)(F)F)c2nc(C)[nH]c(=O)c12
Show InChI InChI=1/C18H19F3N4O2/c1-9(8-26)25-16-15(22-11(3)23-17(16)27)14(24-25)10(2)12-4-6-13(7-5-12)18(19,20)21/h4-7,9-10,26H,8H2,1-3H3,(H,22,23,27)/t9-,10+/s2
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15.6n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM385977
PNG
(US10287293, Example 26 | US10287293, Example 27)
Show SMILES C[C@@H](c1nc(C)c2n1nc(C)[nH]c2=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C16H15F3N4O/c1-8(11-4-6-12(7-5-11)16(17,18)19)14-20-9(2)13-15(24)21-10(3)22-23(13)14/h4-8H,1-3H3,(H,21,22,24)/t8-/s2
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17.2n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM385952
PNG
(US10287293, Example 1 | US10287293, Example 2)
Show SMILES C[C@@H](c1n[nH]c2c1nc(C)[nH]c2=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H11F3N4O/c1-7(9-3-5-10(6-4-9)15(16,17)18)11-12-13(22-21-11)14(23)20-8(2)19-12/h3-7H,1-2H3/t7-/m1/s1
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17.8n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM385977
PNG
(US10287293, Example 26 | US10287293, Example 27)
Show SMILES C[C@@H](c1nc(C)c2n1nc(C)[nH]c2=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C16H15F3N4O/c1-8(11-4-6-12(7-5-11)16(17,18)19)14-20-9(2)13-15(24)21-10(3)22-23(13)14/h4-8H,1-3H3,(H,21,22,24)/t8-/s2
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21n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM385968
PNG
((R)- or (S)-3- (1-(3- Fluoro- 4- (trifluoro- meth...)
Show SMILES CC(c1nn(CCF)c2c1nc(C)[nH]c2=O)c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1/C17H15F5N4O/c1-8(10-3-4-11(12(19)7-10)17(20,21)22)13-14-15(26(25-13)6-5-18)16(27)24-9(2)23-14/h3-4,7-8H,5-6H2,1-2H3,(H,23,24,27)
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24.5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM385964
PNG
(US10287293, Example 13 | US10287293, Example 14)
Show SMILES C[C@@H](c1nn(CCF)c2c1nc(C)[nH]c2=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C17H16F4N4O/c1-9(11-3-5-12(6-4-11)17(19,20)21)13-14-15(25(24-13)8-7-18)16(26)23-10(2)22-14/h3-6,9H,7-8H2,1-2H3,(H,22,23,26)/t9-/s2
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26.8n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM385958
PNG
((R)- or (S)-3- (1-(3- Fluoro- 4- (trifluoro- meth...)
Show SMILES CC(c1nn(CCO)c2c1nc(C)[nH]c2=O)c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1/C17H16F4N4O2/c1-8(10-3-4-11(12(18)7-10)17(19,20)21)13-14-15(25(24-13)5-6-26)16(27)23-9(2)22-14/h3-4,7-8,26H,5-6H2,1-2H3,(H,22,23,27)
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32.1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM385976
PNG
(US10287293, Example 25)
Show SMILES CC(c1nn(C)c2c1nc(C)[nH]c2=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C16H15F3N4O/c1-8(10-4-6-11(7-5-10)16(17,18)19)12-13-14(23(3)22-12)15(24)21-9(2)20-13/h4-8H,1-3H3,(H,20,21,24)
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60.9n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM385983
PNG
((R)- or (S)-5- (hydroxymethyl)-2- methyl-7-(1-(4- ...)
Show SMILES CC(c1nc(CO)c2n1nc(C)[nH]c2=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C16H15F3N4O3/c1-8(10-3-5-11(6-4-10)26-16(17,18)19)14-21-12(7-24)13-15(25)20-9(2)22-23(13)14/h3-6,8,24H,7H2,1-2H3,(H,20,22,25)
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62.5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM385954
PNG
(US10287293, Example 3 | US10287293, Example 4)
Show SMILES C[C@H](c1nn(CCO)c2c1nc(C)[nH]c2=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C17H17F3N4O2/c1-9(11-3-5-12(6-4-11)17(18,19)20)13-14-15(24(23-13)7-8-25)16(26)22-10(2)21-14/h3-6,9,25H,7-8H2,1-2H3,(H,21,22,26)/t9-/s2
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64.7n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM385976
PNG
(US10287293, Example 25)
Show SMILES CC(c1nn(C)c2c1nc(C)[nH]c2=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C16H15F3N4O/c1-8(10-4-6-11(7-5-10)16(17,18)19)12-13-14(23(3)22-12)15(24)21-9(2)20-13/h4-8H,1-3H3,(H,20,21,24)
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70.3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM385966
PNG
((R)- or (S)-3- (1-(4- (tert- Butyl) phenyl) ethyl...)
Show SMILES CC(c1nn(CCF)c2c1nc(C)[nH]c2=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1/C20H25FN4O/c1-12(14-6-8-15(9-7-14)20(3,4)5)16-17-18(25(24-16)11-10-21)19(26)23-13(2)22-17/h6-9,12H,10-11H2,1-5H3,(H,22,23,26)
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82.9n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM385990
PNG
(US10287293, Example 39)
Show SMILES C[C@H](c1nc(CCO)c2n1nc(C)[nH]c2=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C17H17F3N4O2/c1-9(11-3-5-12(6-4-11)17(18,19)20)15-22-13(7-8-25)14-16(26)21-10(2)23-24(14)15/h3-6,9,25H,7-8H2,1-2H3,(H,21,23,26)/t9-/s2
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90.3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM385987
PNG
((R)- or (S)-5- (hydroxymethyl)-2- methyl-7-(1-(4-(...)
Show SMILES CC(c1nc(CO)c2n1nc(C)[nH]c2=O)c1ccc(cc1)C1(C)CC1
Show InChI InChI=1/C19H22N4O2/c1-11(13-4-6-14(7-5-13)19(3)8-9-19)17-21-15(10-24)16-18(25)20-12(2)22-23(16)17/h4-7,11,24H,8-10H2,1-3H3,(H,20,22,25)
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109n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM385956
PNG
((R)- or (S)-3-(1- (4-(tert- Butyl) phenyl) ethyl)...)
Show SMILES CC(c1nn(CCO)c2c1nc(C)[nH]c2=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1/C20H26N4O2/c1-12(14-6-8-15(9-7-14)20(3,4)5)16-17-18(24(23-16)10-11-25)19(26)22-13(2)21-17/h6-9,12,25H,10-11H2,1-5H3,(H,21,22,26)
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125n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM385974
PNG
(US10287293, Example 23 | US10287293, Example 24)
Show SMILES C[C@@H](CO)n1nc([C@@H](C)c2ccc(cc2)C(F)(F)F)c2nc(C)[nH]c(=O)c12
Show InChI InChI=1/C18H19F3N4O2/c1-9(8-26)25-16-15(22-11(3)23-17(16)27)14(24-25)10(2)12-4-6-13(7-5-12)18(19,20)21/h4-7,9-10,26H,8H2,1-3H3,(H,22,23,27)/t9-,10-/s2
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142n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM385962
PNG
(US10287293, Example 11 | US10287293, Example 12)
Show SMILES C[C@@H](c1nn(CC(F)(F)F)c2c1nc(C)[nH]c2=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C17H14F6N4O/c1-8(10-3-5-11(6-4-10)17(21,22)23)12-13-14(15(28)25-9(2)24-13)27(26-12)7-16(18,19)20/h3-6,8H,7H2,1-2H3,(H,24,25,28)/t8-/s2
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178n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM385981
PNG
((R)- or (S)-7-(1-(2- fluoro-4- (trifluoromethyl) p...)
Show SMILES CC(c1nc(CO)c2n1nc(C)[nH]c2=O)c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1/C16H14F4N4O2/c1-7(10-4-3-9(5-11(10)17)16(18,19)20)14-22-12(6-25)13-15(26)21-8(2)23-24(13)14/h3-5,7,25H,6H2,1-2H3,(H,21,23,26)
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200n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM385960
PNG
((R)- or (S)-3- (1-(2- Fluoro- 3- (trifluoro- meth...)
Show SMILES CC(c1nn(CCO)c2c1nc(C)[nH]c2=O)c1cccc(c1F)C(F)(F)F
Show InChI InChI=1/C17H16F4N4O2/c1-8(10-4-3-5-11(12(10)18)17(19,20)21)13-14-15(25(24-13)6-7-26)16(27)23-9(2)22-14/h3-5,8,26H,6-7H2,1-2H3,(H,22,23,27)
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206n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM385985
PNG
((R)- or (S)-7-(1-(3- fluoro-4- (trifluoromethyl) p...)
Show SMILES CC(c1nc(CO)c2n1nc(C)[nH]c2=O)c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1/C16H14F4N4O2/c1-7(9-3-4-10(11(17)5-9)16(18,19)20)14-22-12(6-25)13-15(26)21-8(2)23-24(13)14/h3-5,7,25H,6H2,1-2H3,(H,21,23,26)
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216n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM385972
PNG
(US10287293, Example 21 | US10287293, Example 22)
Show SMILES C[C@H](CO)n1nc([C@@H](C)c2ccc(cc2)C(F)(F)F)c2nc(C)[nH]c(=O)c12
Show InChI InChI=1/C18H19F3N4O2/c1-9(8-26)25-16-15(22-11(3)23-17(16)27)14(24-25)10(2)12-4-6-13(7-5-12)18(19,20)21/h4-7,9-10,26H,8H2,1-3H3,(H,22,23,27)/t9-,10+/s2
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239n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM385952
PNG
(US10287293, Example 1 | US10287293, Example 2)
Show SMILES C[C@@H](c1n[nH]c2c1nc(C)[nH]c2=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H11F3N4O/c1-7(9-3-5-10(6-4-9)15(16,17)18)11-12-13(22-21-11)14(23)20-8(2)19-12/h3-7H,1-2H3/t7-/m1/s1
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293n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM385979
PNG
(US10287293, Example 28 | US10287293, Example 29)
Show SMILES C[C@@H](c1nc(CO)c2n1nc(C)[nH]c2=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C16H15F3N4O2/c1-8(10-3-5-11(6-4-10)16(17,18)19)14-21-12(7-24)13-15(25)20-9(2)22-23(13)14/h3-6,8,24H,7H2,1-2H3,(H,20,22,25)/t8-/s2
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298n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM385970
PNG
(US10287293, Example 19 | US10287293, Example 20)
Show SMILES C[C@H](c1nn(CCC(F)(F)F)c2c1nc(C)[nH]c2=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C18H16F6N4O/c1-9(11-3-5-12(6-4-11)18(22,23)24)13-14-15(16(29)26-10(2)25-14)28(27-13)8-7-17(19,20)21/h3-6,9H,7-8H2,1-2H3,(H,25,26,29)/t9-/s2
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324n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM385970
PNG
(US10287293, Example 19 | US10287293, Example 20)
Show SMILES C[C@H](c1nn(CCC(F)(F)F)c2c1nc(C)[nH]c2=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C18H16F6N4O/c1-9(11-3-5-12(6-4-11)18(22,23)24)13-14-15(16(29)26-10(2)25-14)28(27-13)8-7-17(19,20)21/h3-6,9H,7-8H2,1-2H3,(H,25,26,29)/t9-/s2
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521n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM385977
PNG
(US10287293, Example 26 | US10287293, Example 27)
Show SMILES C[C@@H](c1nc(C)c2n1nc(C)[nH]c2=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C16H15F3N4O/c1-8(11-4-6-12(7-5-11)16(17,18)19)14-20-9(2)13-15(24)21-10(3)22-23(13)14/h4-8H,1-3H3,(H,21,22,24)/t8-/s2
PDB

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779n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM385960
PNG
((R)- or (S)-3- (1-(2- Fluoro- 3- (trifluoro- meth...)
Show SMILES CC(c1nn(CCO)c2c1nc(C)[nH]c2=O)c1cccc(c1F)C(F)(F)F
Show InChI InChI=1/C17H16F4N4O2/c1-8(10-4-3-5-11(12(10)18)17(19,20)21)13-14-15(25(24-13)6-7-26)16(27)23-9(2)22-14/h3-5,8,26H,6-7H2,1-2H3,(H,22,23,27)
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2.80E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US10287293 (2019)

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