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Compile Data Set for Download or QSAR

Found 38 hits of ki data for polymerid = 5839   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
3',5'-cyclic phosphodiesterase


()
BDBM50452209
PNG
(CHEMBL4207777 | US10647727, Example 9)
Show SMILES Cn1ncc2c(NC3(CC3)c3ccc(cc3)C(F)(F)F)nc(Cl)nc12
Show InChI InChI=1S/C16H13ClF3N5/c1-25-13-11(8-21-25)12(22-14(17)23-13)24-15(6-7-15)9-2-4-10(5-3-9)16(18,19)20/h2-5,8H,6-7H2,1H3,(H,22,23,24)
PDB
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3.40n/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 US10647727 (2020)

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


()
BDBM442759
PNG
(6-Chloro-N,1-dimethyl-N-{1-[4-(trifluoromethyl)phe...)
Show SMILES CN(c1nc(Cl)nc2n(C)ncc12)C1(CC1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H15ClF3N5/c1-25(13-12-9-22-26(2)14(12)24-15(18)23-13)16(7-8-16)10-3-5-11(6-4-10)17(19,20)21/h3-6,9H,7-8H2,1-2H3
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3.80n/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 US10647727 (2020)

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


()
BDBM442769
PNG
(N,1,6-Trimethyl-N-{1-[4-(trifluoromethyl)phenyl]cy...)
Show SMILES CN(c1nc(C)nc2n(C)ncc12)C1(CC1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H18F3N5/c1-11-23-15(14-10-22-26(3)16(14)24-11)25(2)17(8-9-17)12-4-6-13(7-5-12)18(19,20)21/h4-7,10H,8-9H2,1-3H3
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4.90n/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 US10647727 (2020)

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


()
BDBM50452200
PNG
(CHEMBL4212416 | US10647727, Example 20)
Show SMILES Cc1nc(NC2(CC2)c2ccc(cc2)C(F)(F)F)c2cnn(C)c2n1
Show InChI InChI=1S/C17H16F3N5/c1-10-22-14(13-9-21-25(2)15(13)23-10)24-16(7-8-16)11-3-5-12(6-4-11)17(18,19)20/h3-6,9H,7-8H2,1-2H3,(H,22,23,24)
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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 US10647727 (2020)

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


()
BDBM50452200
PNG
(CHEMBL4212416 | US10647727, Example 20)
Show SMILES Cc1nc(NC2(CC2)c2ccc(cc2)C(F)(F)F)c2cnn(C)c2n1
Show InChI InChI=1S/C17H16F3N5/c1-10-22-14(13-9-21-25(2)15(13)23-10)24-16(7-8-16)11-3-5-12(6-4-11)17(18,19)20/h3-6,9H,7-8H2,1-2H3,(H,22,23,24)
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8.40n/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 US10647727 (2020)

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


()
BDBM442766
PNG
(1,6-Dimethyl-N- (1-{4- [(trifluoromethyl)- sulfany...)
Show SMILES Cc1nc(NC2(CC2)c2ccc(SC(F)(F)F)cc2)c2cnn(C)c2n1
Show InChI InChI=1S/C17H16F3N5S/c1-10-22-14(13-9-21-25(2)15(13)23-10)24-16(7-8-16)11-3-5-12(6-4-11)26-17(18,19)20/h3-6,9H,7-8H2,1-2H3,(H,22,23,24)
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16n/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 US10647727 (2020)

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


()
BDBM442767
PNG
(N-{1-[2-Fluoro-4- (trifluoromethyl)- phenyl]cyclo-...)
Show SMILES Cc1nc(NC2(CC2)c2ccc(cc2F)C(F)(F)F)c2cnn(C)c2n1
Show InChI InChI=1S/C17H15F4N5/c1-9-23-14(11-8-22-26(2)15(11)24-9)25-16(5-6-16)12-4-3-10(7-13(12)18)17(19,20)21/h3-4,7-8H,5-6H2,1-2H3,(H,23,24,25)
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29n/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 US10647727 (2020)

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


()
BDBM442773
PNG
(1,6-Dimethyl-4-({1-[4-(trifluoromethyl)phenyl]cycl...)
Show SMILES Cc1nc(OC2(CC2)c2ccc(cc2)C(F)(F)F)c2cnn(C)c2n1
Show InChI InChI=1S/C17H15F3N4O/c1-10-22-14-13(9-21-24(14)2)15(23-10)25-16(7-8-16)11-3-5-12(6-4-11)17(18,19)20/h3-6,9H,7-8H2,1-2H3
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32n/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 US10647727 (2020)

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


()
BDBM442765
PNG
(N-{1-[3-Fluoro-4- (trifluoromethyl)- phenyl]cyclo-...)
Show SMILES Cc1nc(NC2(CC2)c2ccc(OC(F)(F)F)c(F)c2)c2cnn(C)c2n1
Show InChI InChI=1S/C17H15F4N5O/c1-9-23-14(11-8-22-26(2)15(11)24-9)25-16(5-6-16)10-3-4-13(12(18)7-10)27-17(19,20)21/h3-4,7-8H,5-6H2,1-2H3,(H,23,24,25)
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35n/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 US10647727 (2020)

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


()
BDBM442772
PNG
(1-Methyl-4-{1-[4-(trifluoromethyl)phenyl]cycloprop...)
Show SMILES Cn1ncc2c(NC3(CC3)c3ccc(cc3)C(F)(F)F)nc(nc12)C#N
Show InChI InChI=1S/C17H13F3N6/c1-26-15-12(9-22-26)14(23-13(8-21)24-15)25-16(6-7-16)10-2-4-11(5-3-10)17(18,19)20/h2-5,9H,6-7H2,1H3,(H,23,24,25)
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39n/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 US10647727 (2020)

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


()
BDBM442770
PNG
(N,1,6-Trimethyl-N-(1-{4-[(trifluoromethyl)sulfanyl...)
Show SMILES CN(c1nc(C)nc2n(C)ncc12)C1(CC1)c1ccc(SC(F)(F)F)cc1
Show InChI InChI=1S/C18H18F3N5S/c1-11-23-15(14-10-22-26(3)16(14)24-11)25(2)17(8-9-17)12-4-6-13(7-5-12)27-18(19,20)21/h4-7,10H,8-9H2,1-3H3
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40n/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 US10647727 (2020)

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


()
BDBM442775
PNG
((R)óN-(1-(3-Fluoro-4-(trifluoromethyl)phenyl)-2,2-...)
Show SMILES Cc1cc(N[C@@H](c2ccc(c(F)c2)C(F)(F)F)C(C)(C)C)n2ccnc2n1
Show InChI InChI=1S/C19H20F4N4/c1-11-9-15(27-8-7-24-17(27)25-11)26-16(18(2,3)4)12-5-6-13(14(20)10-12)19(21,22)23/h5-10,16,26H,1-4H3/t16-/m0/s1
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51n/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 US10647727 (2020)

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


()
BDBM50452216
PNG
(CHEMBL4215537 | US10647727, Example 13)
Show SMILES Cn1ncc2c(NC3(CC3)c3ccc(cc3)C(F)(F)F)nc(nc12)C1CC1
Show InChI InChI=1S/C19H18F3N5/c1-27-17-14(10-23-27)16(24-15(25-17)11-2-3-11)26-18(8-9-18)12-4-6-13(7-5-12)19(20,21)22/h4-7,10-11H,2-3,8-9H2,1H3,(H,24,25,26)
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55n/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 US10647727 (2020)

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


()
BDBM442774
PNG
(N-(1-(3-Fluoro-4-(trifluoromethyl)phenyl)cycloprop...)
Show SMILES Cc1cc(OC2(CC2)c2ccc(c(F)c2)C(F)(F)F)n2ccnc2n1
Show InChI InChI=1S/C17H13F4N3O/c1-10-8-14(24-7-6-22-15(24)23-10)25-16(4-5-16)11-2-3-12(13(18)9-11)17(19,20)21/h2-3,6-9H,4-5H2,1H3
PDB
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55n/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 US10647727 (2020)

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


()
BDBM442756
PNG
(6-Chloro-N,1-dimethyl-N-{(1R)-1-[4-(trifluoromethy...)
Show SMILES C[C@@H](N(C)c1nc(Cl)nc2n(C)ncc12)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H15ClF3N5/c1-9(10-4-6-11(7-5-10)16(18,19)20)24(2)13-12-8-21-25(3)14(12)23-15(17)22-13/h4-9H,1-3H3/t9-/m1/s1
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65n/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 US10647727 (2020)

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


()
BDBM442761
PNG
(1-Methyl-6-(trifluoromethyl)-N-(1-(4-(trifluoromet...)
Show SMILES Cn1ncc2c(NC3(CC3)c3ccc(cc3)C(F)(F)F)nc(nc12)C(F)(F)F
Show InChI InChI=1S/C17H13F6N5/c1-28-13-11(8-24-28)12(25-14(26-13)17(21,22)23)27-15(6-7-15)9-2-4-10(5-3-9)16(18,19)20/h2-5,8H,6-7H2,1H3,(H,25,26,27)
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67n/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 US10647727 (2020)

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


()
BDBM442771
PNG
(N-{1-[3-Fluoro-4-(trifluoromethyl)phenyl]cycloprop...)
Show SMILES Cc1nc(NC2(CC2)c2ccc(c(F)c2)C(F)(F)F)c2cnn(CC(F)(F)F)c2n1
Show InChI InChI=1S/C18H14F7N5/c1-9-27-14(11-7-26-30(15(11)28-9)8-17(20,21)22)29-16(4-5-16)10-2-3-12(13(19)6-10)18(23,24)25/h2-3,6-7H,4-5,8H2,1H3,(H,27,28,29)
PDB
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76n/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 US10647727 (2020)

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


()
BDBM442780
PNG
(N-(1-(3-Fluoro-4-(trifluoromethyl)phenyl)cycloprop...)
Show SMILES Cc1nc(NC2(CC2)c2ccc(c(F)c2)C(F)(F)F)c2ncn(C)c2n1
Show InChI InChI=1S/C17H15F4N5/c1-9-23-14(13-15(24-9)26(2)8-22-13)25-16(5-6-16)10-3-4-11(12(18)7-10)17(19,20)21/h3-4,7-8H,5-6H2,1-2H3,(H,23,24,25)
PDB
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115n/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 US10647727 (2020)

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


()
BDBM442763
PNG
(1,6-Dimethyl- N-{(1R)-1-[4- (trifluoromethyl)- phe...)
Show SMILES C[C@@H](Nc1nc(C)nc2n(C)ncc12)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H16F3N5/c1-9(11-4-6-12(7-5-11)16(17,18)19)21-14-13-8-20-24(3)15(13)23-10(2)22-14/h4-9H,1-3H3,(H,21,22,23)/t9-/m1/s1
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140n/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 US10647727 (2020)

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


()
BDBM50452210
PNG
(CHEMBL4202746 | US10647727, Example 12)
Show SMILES Cn1ncc2c(NC3(CC3)c3ccc(cc3)C(F)(F)F)nc(O)nc12
Show InChI InChI=1S/C16H14F3N5O/c1-24-13-11(8-20-24)12(21-14(25)22-13)23-15(6-7-15)9-2-4-10(5-3-9)16(17,18)19/h2-5,8H,6-7H2,1H3,(H2,21,22,23,25)
PDB
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141n/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 US10647727 (2020)

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


()
BDBM442786
PNG
(US10647727, Example 43 | [7-({1-[3-Fluoro-4-(trifl...)
Show SMILES Cc1cc(NC2(CC2)c2ccc(c(F)c2)C(F)(F)F)n2nc(CO)cc2n1
Show InChI InChI=1S/C18H16F4N4O/c1-10-6-16(26-15(23-10)8-12(9-27)25-26)24-17(4-5-17)11-2-3-13(14(19)7-11)18(20,21)22/h2-3,6-8,24,27H,4-5,9H2,1H3
PDB
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169n/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 US10647727 (2020)

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


()
BDBM442791
PNG
(N-{(1R)-1-[3-Fluoro-4-(trifluoromethyl)phenyl]-2,2...)
Show SMILES Cc1cc(N[C@@H](c2ccc(c(F)c2)C(F)(F)F)C(C)(C)C)n2nccc2n1
Show InChI InChI=1S/C19H20F4N4/c1-11-9-16(27-15(25-11)7-8-24-27)26-17(18(2,3)4)12-5-6-13(14(20)10-12)19(21,22)23/h5-10,17,26H,1-4H3/t17-/m0/s1
PDB
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174n/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 US10647727 (2020)

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


()
BDBM442790
PNG
(N-{1-[3-Fluoro-4-(trifluoromethyl)phenyl]cycloprop...)
Show SMILES Cc1cc(NC2(CC2)c2ccc(c(F)c2)C(F)(F)F)n2nccc2n1
Show InChI InChI=1S/C17H14F4N4/c1-10-8-15(25-14(23-10)4-7-22-25)24-16(5-6-16)11-2-3-12(13(18)9-11)17(19,20)21/h2-4,7-9,24H,5-6H2,1H3
PDB
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199n/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 US10647727 (2020)

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


()
BDBM442779
PNG
(N-{1-[3-Fluoro-4-(trifluoromethyl)phenyl]cycloprop...)
Show SMILES Cc1nc(NC2(CC2)c2ccc(c(F)c2)C(F)(F)F)c2nc[nH]c2n1
Show InChI InChI=1S/C16H13F4N5/c1-8-23-13-12(21-7-22-13)14(24-8)25-15(4-5-15)9-2-3-10(11(17)6-9)16(18,19)20/h2-3,6-7H,4-5H2,1H3,(H2,21,22,23,24,25)
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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 US10647727 (2020)

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


()
BDBM442787
PNG
(US10647727, Example 44 | [7-({(1R)-1-[3-Fluoro-4-(...)
Show SMILES Cc1cc(N[C@@H](c2ccc(c(F)c2)C(F)(F)F)C(C)(C)C)n2nc(CO)cc2n1
Show InChI InChI=1S/C20H22F4N4O/c1-11-7-16(28-17(25-11)9-13(10-29)27-28)26-18(19(2,3)4)12-5-6-14(15(21)8-12)20(22,23)24/h5-9,18,26,29H,10H2,1-4H3/t18-/m0/s1
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259n/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 US10647727 (2020)

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


()
BDBM442784
PNG
(N7-{1-[3-Fluoro-4-(trifluoromethyl)phenyl]cyclopro...)
Show SMILES Cc1cc(NC2(CC2)c2ccc(c(F)c2)C(F)(F)F)n2ncc(N)c2n1
Show InChI InChI=1S/C17H15F4N5/c1-9-6-14(26-15(24-9)13(22)8-23-26)25-16(4-5-16)10-2-3-11(12(18)7-10)17(19,20)21/h2-3,6-8,25H,4-5,22H2,1H3
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337n/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 US10647727 (2020)

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


()
BDBM50452215
PNG
(CHEMBL4212115 | US10647727, Example 2)
Show SMILES C[C@@H](Nc1nc(Cl)nc2n(C)ncc12)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H13ClF3N5/c1-8(9-3-5-10(6-4-9)15(17,18)19)21-12-11-7-20-24(2)13(11)23-14(16)22-12/h3-8H,1-2H3,(H,21,22,23)/t8-/m1/s1
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392n/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 US10647727 (2020)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3',5'-cyclic phosphodiesterase


()
BDBM442758
PNG
(6-Chloro-N-ethyl-1- methyl-N-[4- (trifluoromethyl)...)
Show SMILES CCN(Cc1ccc(cc1)C(F)(F)F)c1nc(Cl)nc2n(C)ncc12
Show InChI InChI=1S/C16H15ClF3N5/c1-3-25(9-10-4-6-11(7-5-10)16(18,19)20)14-12-8-21-24(2)13(12)22-15(17)23-14/h4-8H,3,9H2,1-2H3
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429n/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 US10647727 (2020)

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


()
BDBM442768
PNG
(1,6-Dimethyl-N- {1-[4-(trifluoro- methyl)phenyl]- ...)
Show SMILES Cc1nc(NC2(CCC2)c2ccc(cc2)C(F)(F)F)c2cnn(C)c2n1
Show InChI InChI=1S/C18H18F3N5/c1-11-23-15(14-10-22-26(2)16(14)24-11)25-17(8-3-9-17)12-4-6-13(7-5-12)18(19,20)21/h4-7,10H,3,8-9H2,1-2H3,(H,23,24,25)
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430n/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 US10647727 (2020)

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


()
BDBM442783
PNG
(7-({(1R)-1-[3-Fluoro-4-(trifluoromethyl)phenyl]-2,...)
Show SMILES Cc1cc(N[C@@H](c2ccc(c(F)c2)C(F)(F)F)C(C)(C)C)n2ncc(C#N)c2n1
Show InChI InChI=1S/C20H19F4N5/c1-11-7-16(29-18(27-11)13(9-25)10-26-29)28-17(19(2,3)4)12-5-6-14(15(21)8-12)20(22,23)24/h5-8,10,17,28H,1-4H3/t17-/m0/s1
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462n/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 US10647727 (2020)

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


()
BDBM442782
PNG
(US10647727, Example 39)
Show SMILES Cc1cc(NC2(CC2)c2ccc(c(F)c2)C(F)(F)F)n2ncc(C#N)c2n1
Show InChI InChI=1S/C18H13F4N5/c1-10-6-15(27-16(25-10)11(8-23)9-24-27)26-17(4-5-17)12-2-3-13(14(19)7-12)18(20,21)22/h2-3,6-7,9,26H,4-5H2,1H3
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503n/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 US10647727 (2020)

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


()
BDBM442778
PNG
(N-{(1R)-1-[3-Fluoro-4-(trifluoromethyl)phenyl]-2,2...)
Show SMILES Cc1nc(N[C@@H](c2ccc(c(F)c2)C(F)(F)F)C(C)(C)C)c2nc[nH]c2n1
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566n/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 US10647727 (2020)

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


()
BDBM442785
PNG
(N7-{(1R)-1-[3-Fluoro-4-(trifluoromethyl)phenyl]-2,...)
Show SMILES Cc1cc(N[C@@H](c2ccc(c(F)c2)C(F)(F)F)C(C)(C)C)n2ncc(N)c2n1
Show InChI InChI=1S/C19H21F4N5/c1-10-7-15(28-17(26-10)14(24)9-25-28)27-16(18(2,3)4)11-5-6-12(13(20)8-11)19(21,22)23/h5-9,16,27H,24H2,1-4H3/t16-/m0/s1
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580n/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 US10647727 (2020)

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


()
BDBM442788
PNG
(US10647727, Example 45 | [7-({1-[3-Fluoro-4-(trifl...)
Show SMILES Cc1cc(NC2(CC2)c2ccc(c(F)c2)C(F)(F)F)n2ncc(CO)c2n1
Show InChI InChI=1S/C18H16F4N4O/c1-10-6-15(26-16(24-10)11(9-27)8-23-26)25-17(4-5-17)12-2-3-13(14(19)7-12)18(20,21)22/h2-3,6-8,25,27H,4-5,9H2,1H3
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682n/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 US10647727 (2020)

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


()
BDBM442776
PNG
((R or S)-1-[3-Fluoro-4-(trifluoromethyl)phenyl]-2-...)
Show SMILES Cc1cc2nccn2c(N[C@H](c2ccc(c(F)c2)C(F)(F)F)C(C)(C)O)n1
Show InChI InChI=1S/C18H18F4N4O/c1-10-8-14-23-6-7-26(14)16(24-10)25-15(17(2,3)27)11-4-5-12(13(19)9-11)18(20,21)22/h4-9,15,27H,1-3H3,(H,24,25)/t15-/m1/s1
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1.33E+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 US10647727 (2020)

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


()
BDBM442781
PNG
(N-{(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2...)
Show SMILES Cc1nc(N[C@H](c2ccc(c(F)c2)C(F)(F)F)C(C)(C)C)c2ncn(C)c2n1
Show InChI InChI=1S/C19H21F4N5/c1-10-25-16(14-17(26-10)28(5)9-24-14)27-15(18(2,3)4)11-6-7-12(13(20)8-11)19(21,22)23/h6-9,15H,1-5H3,(H,25,26,27)/t15-/m1/s1
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2.06E+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 US10647727 (2020)

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


()
BDBM442789
PNG
(US10647727, Example 46 | [7-({1-[3-Fluoro-4-(trifl...)
Show SMILES Cc1cc(N[C@@H](c2ccc(c(F)c2)C(F)(F)F)C(C)(C)C)n2ncc(CO)c2n1
Show InChI InChI=1S/C20H22F4N4O/c1-11-7-16(28-18(26-11)13(10-29)9-25-28)27-17(19(2,3)4)12-5-6-14(15(21)8-12)20(22,23)24/h5-9,17,27,29H,10H2,1-4H3/t17-/m0/s1
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2.64E+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 US10647727 (2020)

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


()
BDBM442776
PNG
((R or S)-1-[3-Fluoro-4-(trifluoromethyl)phenyl]-2-...)
Show SMILES Cc1cc2nccn2c(N[C@H](c2ccc(c(F)c2)C(F)(F)F)C(C)(C)O)n1
Show InChI InChI=1S/C18H18F4N4O/c1-10-8-14-23-6-7-26(14)16(24-10)25-15(17(2,3)27)11-4-5-12(13(19)9-11)18(20,21)22/h4-9,15,27H,1-3H3,(H,24,25)/t15-/m1/s1
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>2.96E+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 US10647727 (2020)

More data for this
Ligand-Target Pair