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Compile Data Set for Download or QSAR

Found 2660 hits with Last Name = 'wilson' and Initial = 'je'   
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


(Macaca mulatta (Rhesus macaque))
BDBM331979
PNG
((R)- or (S)-2- (3,4-dimethoxy- benzyl)-6-(1-(1- (2...)
Show SMILES COc1ccc(Cc2nc(cc(=O)[nH]2)-c2cn(cn2)C(C)c2ccc(cc2F)C(F)(F)F)cc1OC
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US Patent
0.200n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10195201 (2019)


BindingDB Entry DOI: 10.7270/Q20G3N7K
More data for this
Ligand-Target Pair
cGMP-dependent 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
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0.400n/an/an/an/an/an/an/an/a



University of Wisconsin at Madison



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...


J Med Chem 51: 7243-52 (2008)


BindingDB Entry DOI: 10.7270/Q2G1634M
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM331979
PNG
((R)- or (S)-2- (3,4-dimethoxy- benzyl)-6-(1-(1- (2...)
Show SMILES COc1ccc(Cc2nc(cc(=O)[nH]2)-c2cn(cn2)C(C)c2ccc(cc2F)C(F)(F)F)cc1OC
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0.400n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
TBD


US Patent US10195201 (2019)


BindingDB Entry DOI: 10.7270/Q20G3N7K
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM331979
PNG
((R)- or (S)-2- (3,4-dimethoxy- benzyl)-6-(1-(1- (2...)
Show SMILES COc1ccc(Cc2nc(cc(=O)[nH]2)-c2cn(cn2)C(C)c2ccc(cc2F)C(F)(F)F)cc1OC
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0.400n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10195201 (2019)


BindingDB Entry DOI: 10.7270/Q20G3N7K
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM355246
PNG
(US9815796, Example 337)
Show SMILES CC(C)(C)[C@@H](NC(=O)c1cc(=O)[nH]c(n1)-c1ccccc1)c1ccc(cc1)C(F)(F)F |r|
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0.400n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD R & D (China) Co. LTD.

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 US9815796 (2017)


BindingDB Entry DOI: 10.7270/Q2V69MQQ
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM408573
PNG
(US10358435, Example 89 | US10358435, Example 90)
Show SMILES COc1ccc(Cc2nc(cc(=O)[nH]2)-c2nnn3c2CCC[C@@]3(C)c2ccc(cc2F)C(F)(F)F)cc1 |r|
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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 US10358435 (2019)


BindingDB Entry DOI: 10.7270/Q2Q242M7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM408558
PNG
(US10358435, Example 74 | US10358435, Example 75)
Show SMILES C[C@H](c1cn(nn1)-c1cc(=O)[nH]c(C)n1)c1ccc(cc1Cl)C(F)(F)F |r|
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0.420n/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 US10358435 (2019)


BindingDB Entry DOI: 10.7270/Q2Q242M7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM354912
PNG
(1-Methylcyclopropanamine Oxalate | US9815796, Exam...)
Show SMILES COc1ccc(Cc2nc(cc(=O)[nH]2)C(=O)NC2(CC2)c2ccc(cc2)C(F)(F)F)cc1OC
Show InChI InChI=1S/C24H22F3N3O4/c1-33-18-8-3-14(11-19(18)34-2)12-20-28-17(13-21(31)29-20)22(32)30-23(9-10-23)15-4-6-16(7-5-15)24(25,26)27/h3-8,11,13H,9-10,12H2,1-2H3,(H,30,32)(H,28,29,31)
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0.450n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD R & D (China) Co. LTD.

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 US9815796 (2017)


BindingDB Entry DOI: 10.7270/Q2V69MQQ
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM355376
PNG
(N-{(1R)-2,2-dimethyl-1-[4- (trifluoromethoxy)pheny...)
Show SMILES COc1ccc(Cc2nc(cc(=O)[nH]2)C(=O)N[C@@H](c2ccc(OC(F)(F)F)cc2)C(C)(C)C)cc1 |r|
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0.490n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD R & D (China) Co. LTD.

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 US9815796 (2017)


BindingDB Entry DOI: 10.7270/Q2V69MQQ
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM355552
PNG
(N-{(1S)-1-[2-chloro-4- (trifluoromethyl)phenyl]-2-...)
Show SMILES C[C@](CO)(NC(=O)c1cc(=O)[nH]c(n1)-c1ccccc1)c1ccc(cc1Cl)C(F)(F)F |r|
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0.5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD R & D (China) Co. LTD.

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 US9815796 (2017)


BindingDB Entry DOI: 10.7270/Q2V69MQQ
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM355445
PNG
(N-[(1R)-1-(4-cyclopropylphenyl)- 2,2-dimethylpropy...)
Show SMILES CC(C)(C)[C@@H](NC(=O)c1cc(=O)[nH]c(n1)-c1ccccc1)c1ccc(cc1)C1CC1 |r|
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0.510n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD R & D (China) Co. LTD.

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 US9815796 (2017)


BindingDB Entry DOI: 10.7270/Q2V69MQQ
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM354913
PNG
(2-Methyl-2-(1H-pyrazol-1-yl)propanimidamide acetat...)
Show SMILES COc1ccc(Cc2nc(cc(=O)[nH]2)C(=O)N[C@H](C)c2ccc(cc2)C(F)(F)F)cc1OC |r|
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0.520n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD R & D (China) Co. LTD.

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 US9815796 (2017)


BindingDB Entry DOI: 10.7270/Q2V69MQQ
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM408512
PNG
(US10358435, Example 29)
Show SMILES CC(N=[N+]=[N-])c1ccc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C9H7ClF3N3/c1-5(15-16-14)7-3-2-6(4-8(7)10)9(11,12)13/h2-5H,1H3
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0.530n/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 US10358435 (2019)


BindingDB Entry DOI: 10.7270/Q2Q242M7
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM354912
PNG
(1-Methylcyclopropanamine Oxalate | US9815796, Exam...)
Show SMILES COc1ccc(Cc2nc(cc(=O)[nH]2)C(=O)NC2(CC2)c2ccc(cc2)C(F)(F)F)cc1OC
Show InChI InChI=1S/C24H22F3N3O4/c1-33-18-8-3-14(11-19(18)34-2)12-20-28-17(13-21(31)29-20)22(32)30-23(9-10-23)15-4-6-16(7-5-15)24(25,26)27/h3-8,11,13H,9-10,12H2,1-2H3,(H,30,32)(H,28,29,31)
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0.540n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD R & D (China) Co. LTD.

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 US9815796 (2017)


BindingDB Entry DOI: 10.7270/Q2V69MQQ
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM354913
PNG
(2-Methyl-2-(1H-pyrazol-1-yl)propanimidamide acetat...)
Show SMILES COc1ccc(Cc2nc(cc(=O)[nH]2)C(=O)N[C@H](C)c2ccc(cc2)C(F)(F)F)cc1OC |r|
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0.560n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD R & D (China) Co. LTD.

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 US9815796 (2017)


BindingDB Entry DOI: 10.7270/Q2V69MQQ
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM408575
PNG
((S)- or (R)-6-(7-(2-Fluoro-4- (trifluoromethyl)phe...)
Show SMILES COc1cccc(Cc2nc(cc(=O)[nH]2)-c2nnn3c2CCCC3(C)c2ccc(cc2F)C(F)(F)F)c1
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0.560n/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 US10358435 (2019)


BindingDB Entry DOI: 10.7270/Q2Q242M7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM355364
PNG
(N-{(1R)-2,2-dimethyl-1-[4- (trifluoromethyl)phenyl...)
Show SMILES COc1ccc(Cc2nc(cc(=O)[nH]2)C(=O)N[C@@H](c2ccc(cc2)C(F)(F)F)C(C)(C)C)cc1 |r|
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0.600n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD R & D (China) Co. LTD.

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 US9815796 (2017)


BindingDB Entry DOI: 10.7270/Q2V69MQQ
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM355373
PNG
(N-{(1R)-1-[3-fluoro-4- (trifluoromethoxy)phenyl]-2...)
Show SMILES COc1ccc(Cc2nc(cc(=O)[nH]2)C(=O)N[C@@H](c2ccc(OC(F)(F)F)c(F)c2)C(C)(C)C)cc1 |r|
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0.600n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD R & D (China) Co. LTD.

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 US9815796 (2017)


BindingDB Entry DOI: 10.7270/Q2V69MQQ
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM355374
PNG
(N-[(1R)-2,2-dimethyl-1-{4- [(trifluoromethyl)sulfa...)
Show SMILES COc1ccc(Cc2nc(cc(=O)[nH]2)C(=O)N[C@@H](c2ccc(SC(F)(F)F)cc2)C(C)(C)C)cc1 |r|
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0.620n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD R & D (China) Co. LTD.

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 US9815796 (2017)


BindingDB Entry DOI: 10.7270/Q2V69MQQ
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM355376
PNG
(N-{(1R)-2,2-dimethyl-1-[4- (trifluoromethoxy)pheny...)
Show SMILES COc1ccc(Cc2nc(cc(=O)[nH]2)C(=O)N[C@@H](c2ccc(OC(F)(F)F)cc2)C(C)(C)C)cc1 |r|
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0.620n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD R & D (China) Co. LTD.

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 US9815796 (2017)


BindingDB Entry DOI: 10.7270/Q2V69MQQ
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM355374
PNG
(N-[(1R)-2,2-dimethyl-1-{4- [(trifluoromethyl)sulfa...)
Show SMILES COc1ccc(Cc2nc(cc(=O)[nH]2)C(=O)N[C@@H](c2ccc(SC(F)(F)F)cc2)C(C)(C)C)cc1 |r|
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0.620n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD R & D (China) Co. LTD.

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 US9815796 (2017)


BindingDB Entry DOI: 10.7270/Q2V69MQQ
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM408512
PNG
(US10358435, Example 29)
Show SMILES CC(N=[N+]=[N-])c1ccc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C9H7ClF3N3/c1-5(15-16-14)7-3-2-6(4-8(7)10)9(11,12)13/h2-5H,1H3
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0.630n/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 US10358435 (2019)


BindingDB Entry DOI: 10.7270/Q2Q242M7
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM408573
PNG
(US10358435, Example 89 | US10358435, Example 90)
Show SMILES COc1ccc(Cc2nc(cc(=O)[nH]2)-c2nnn3c2CCC[C@@]3(C)c2ccc(cc2F)C(F)(F)F)cc1 |r|
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0.630n/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 US10358435 (2019)


BindingDB Entry DOI: 10.7270/Q2Q242M7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM355366
PNG
(N-{(1R)-2,2-dimethyl-1-[4- (trifluoromethyl)phenyl...)
Show SMILES COc1ccc(Cc2nc(cc(=O)[nH]2)C(=O)N[C@@H](c2ccc(cc2)C(F)(F)F)C(C)(C)C)cc1F |r|
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0.640n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD R & D (China) Co. LTD.

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 US9815796 (2017)


BindingDB Entry DOI: 10.7270/Q2V69MQQ
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM355171
PNG
(2-cyclopropyl-N-{(1R)-2,2-dimethyl- 1-[4-(trifluor...)
Show SMILES CC(C)(C)[C@@H](NC(=O)c1cc(=O)[nH]c(n1)C1CC1)c1ccc(cc1)C(F)(F)F |r|
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0.650n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD R & D (China) Co. LTD.

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 US9815796 (2017)


BindingDB Entry DOI: 10.7270/Q2V69MQQ
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM355364
PNG
(N-{(1R)-2,2-dimethyl-1-[4- (trifluoromethyl)phenyl...)
Show SMILES COc1ccc(Cc2nc(cc(=O)[nH]2)C(=O)N[C@@H](c2ccc(cc2)C(F)(F)F)C(C)(C)C)cc1 |r|
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0.680n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD R & D (China) Co. LTD.

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 US9815796 (2017)


BindingDB Entry DOI: 10.7270/Q2V69MQQ
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM355366
PNG
(N-{(1R)-2,2-dimethyl-1-[4- (trifluoromethyl)phenyl...)
Show SMILES COc1ccc(Cc2nc(cc(=O)[nH]2)C(=O)N[C@@H](c2ccc(cc2)C(F)(F)F)C(C)(C)C)cc1F |r|
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0.680n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD R & D (China) Co. LTD.

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 US9815796 (2017)


BindingDB Entry DOI: 10.7270/Q2V69MQQ
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM355373
PNG
(N-{(1R)-1-[3-fluoro-4- (trifluoromethoxy)phenyl]-2...)
Show SMILES COc1ccc(Cc2nc(cc(=O)[nH]2)C(=O)N[C@@H](c2ccc(OC(F)(F)F)c(F)c2)C(C)(C)C)cc1 |r|
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0.690n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD R & D (China) Co. LTD.

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 US9815796 (2017)


BindingDB Entry DOI: 10.7270/Q2V69MQQ
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM355417
PNG
(2-(3-fluoro-4-methoxybenzyl)-N- {(1R)-1-[3-fluoro-...)
Show SMILES COc1ccc(Cc2nc(cc(=O)[nH]2)C(=O)N[C@@H](c2ccc(c(F)c2)C(F)(F)F)C(C)(C)C)cc1F |r|
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0.770n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD R & D (China) Co. LTD.

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 US9815796 (2017)


BindingDB Entry DOI: 10.7270/Q2V69MQQ
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM355344
PNG
(2-cyclopropyl-N-[(1R)-1-(4- cyclopropyl-3-fluoroph...)
Show SMILES CC(C)(C)[C@@H](NC(=O)c1cc(=O)[nH]c(n1)C1CC1)c1ccc(C2CC2)c(F)c1 |r|
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US Patent
0.780n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD R & D (China) Co. LTD.

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 US9815796 (2017)


BindingDB Entry DOI: 10.7270/Q2V69MQQ
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM355375
PNG
(N-{(1R)-1-[3-fluoro-4- (trifluoromethyl)phenyl]-2,...)
Show SMILES COc1ccc(Cc2nc(cc(=O)[nH]2)C(=O)N[C@@H](c2ccc(c(F)c2)C(F)(F)F)C(C)(C)C)cc1 |r|
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0.790n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD R & D (China) Co. LTD.

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 US9815796 (2017)


BindingDB Entry DOI: 10.7270/Q2V69MQQ
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM355171
PNG
(2-cyclopropyl-N-{(1R)-2,2-dimethyl- 1-[4-(trifluor...)
Show SMILES CC(C)(C)[C@@H](NC(=O)c1cc(=O)[nH]c(n1)C1CC1)c1ccc(cc1)C(F)(F)F |r|
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0.790n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD R & D (China) Co. LTD.

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 US9815796 (2017)


BindingDB Entry DOI: 10.7270/Q2V69MQQ
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM355415
PNG
(2-(3-fluoro-4-methoxybenzyl)-N- {(1R)-1-[3-fluoro-...)
Show SMILES COc1ccc(Cc2nc(cc(=O)[nH]2)C(=O)N[C@@H](c2ccc(OC(F)(F)F)c(F)c2)C(C)(C)C)cc1F |r|
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0.800n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD R & D (China) Co. LTD.

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 US9815796 (2017)


BindingDB Entry DOI: 10.7270/Q2V69MQQ
More data for this
Ligand-Target Pair
cGMP-dependent 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
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0.800n/an/an/an/an/an/an/an/a



University of Wisconsin at Madison



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...


J Med Chem 51: 7243-52 (2008)


BindingDB Entry DOI: 10.7270/Q2G1634M
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM355417
PNG
(2-(3-fluoro-4-methoxybenzyl)-N- {(1R)-1-[3-fluoro-...)
Show SMILES COc1ccc(Cc2nc(cc(=O)[nH]2)C(=O)N[C@@H](c2ccc(c(F)c2)C(F)(F)F)C(C)(C)C)cc1F |r|
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0.800n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD R & D (China) Co. LTD.

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 US9815796 (2017)


BindingDB Entry DOI: 10.7270/Q2V69MQQ
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM355372
PNG
(2-cyclopropyl-N-{(1R)-2,2- dimethyl-1-[4- (trifluo...)
Show SMILES CC(C)(C)[C@@H](NC(=O)c1cc(=O)[nH]c(n1)C1CC1)c1ccc(OC(F)(F)F)cc1 |r|
PDB

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0.840n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD R & D (China) Co. LTD.

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 US9815796 (2017)


BindingDB Entry DOI: 10.7270/Q2V69MQQ
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM355171
PNG
(2-cyclopropyl-N-{(1R)-2,2-dimethyl- 1-[4-(trifluor...)
Show SMILES CC(C)(C)[C@@H](NC(=O)c1cc(=O)[nH]c(n1)C1CC1)c1ccc(cc1)C(F)(F)F |r|
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US Patent
0.850n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD R & D (China) Co. LTD.

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 US9815796 (2017)


BindingDB Entry DOI: 10.7270/Q2V69MQQ
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM355375
PNG
(N-{(1R)-1-[3-fluoro-4- (trifluoromethyl)phenyl]-2,...)
Show SMILES COc1ccc(Cc2nc(cc(=O)[nH]2)C(=O)N[C@@H](c2ccc(c(F)c2)C(F)(F)F)C(C)(C)C)cc1 |r|
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0.850n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD R & D (China) Co. LTD.

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 US9815796 (2017)


BindingDB Entry DOI: 10.7270/Q2V69MQQ
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM355382
PNG
(N-{(1R)-1-[3-fluoro-4- (trifluoromethoxy)phenyl]-2...)
Show SMILES COc1ccc(Cc2nc(cc(=O)[nH]2)C(=O)N[C@H](C(C)C)c2ccc(OC(F)(F)F)c(F)c2)cc1 |r|
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0.860n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD R & D (China) Co. LTD.

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 US9815796 (2017)


BindingDB Entry DOI: 10.7270/Q2V69MQQ
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM355418
PNG
(N-{(1R)-2,2-dimethyl-1-[4- (trifluoromethoxy)pheny...)
Show SMILES COc1ccc(Cc2nc(cc(=O)[nH]2)C(=O)N[C@@H](c2ccc(OC(F)(F)F)cc2)C(C)(C)C)cc1F |r|
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0.880n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD R & D (China) Co. LTD.

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 US9815796 (2017)


BindingDB Entry DOI: 10.7270/Q2V69MQQ
More data for this
Ligand-Target Pair
cGMP-dependent 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
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0.900n/an/an/an/an/an/an/an/a



University of Wisconsin at Madison



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...


J Med Chem 51: 7243-52 (2008)


BindingDB Entry DOI: 10.7270/Q2G1634M
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM355378
PNG
(2-(4-methoxybenzyl)-N-[(1R)-2- methyl-1-{4- [(trif...)
Show SMILES COc1ccc(Cc2nc(cc(=O)[nH]2)C(=O)N[C@H](C(C)C)c2ccc(SC(F)(F)F)cc2)cc1 |r|
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US Patent
0.910n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD R & D (China) Co. LTD.

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 US9815796 (2017)


BindingDB Entry DOI: 10.7270/Q2V69MQQ
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM355415
PNG
(2-(3-fluoro-4-methoxybenzyl)-N- {(1R)-1-[3-fluoro-...)
Show SMILES COc1ccc(Cc2nc(cc(=O)[nH]2)C(=O)N[C@@H](c2ccc(OC(F)(F)F)c(F)c2)C(C)(C)C)cc1F |r|
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0.920n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD R & D (China) Co. LTD.

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 US9815796 (2017)


BindingDB Entry DOI: 10.7270/Q2V69MQQ
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50576278
PNG
(CHEMBL4863002)
Show SMILES C[C@@H](c1nn(CCF)c2c1nc(C)[nH]c2=O)c1ccc(c(F)c1)C(F)(F)F |r|
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Article
PubMed
0.920n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PDE2


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128082
BindingDB Entry DOI: 10.7270/Q2KK9GNG
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM408564
PNG
(US10358435, Example 80 | US10358435, Example 81)
Show SMILES Cc1nc(cc(=O)[nH]1)-c1nnc2n1CCC[C@@]2(C)c1ccc(cc1F)C(F)(F)F |r|
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0.930n/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 US10358435 (2019)


BindingDB Entry DOI: 10.7270/Q2Q242M7
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM355378
PNG
(2-(4-methoxybenzyl)-N-[(1R)-2- methyl-1-{4- [(trif...)
Show SMILES COc1ccc(Cc2nc(cc(=O)[nH]2)C(=O)N[C@H](C(C)C)c2ccc(SC(F)(F)F)cc2)cc1 |r|
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0.960n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD R & D (China) Co. LTD.

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 US9815796 (2017)


BindingDB Entry DOI: 10.7270/Q2V69MQQ
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM355418
PNG
(N-{(1R)-2,2-dimethyl-1-[4- (trifluoromethoxy)pheny...)
Show SMILES COc1ccc(Cc2nc(cc(=O)[nH]2)C(=O)N[C@@H](c2ccc(OC(F)(F)F)cc2)C(C)(C)C)cc1F |r|
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0.990n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD R & D (China) Co. LTD.

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 US9815796 (2017)


BindingDB Entry DOI: 10.7270/Q2V69MQQ
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM355153
PNG
(2-cyclopropyl-N-[(1R)-1-{3-fluoro-4- [(trifluorome...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(=O)[nH]c(n1)C1CC1)c1ccc(SC(F)(F)F)c(F)c1 |r|
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0.990n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD R & D (China) Co. LTD.

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 US9815796 (2017)


BindingDB Entry DOI: 10.7270/Q2V69MQQ
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM355169
PNG
(N-[(1R)-1-{3-fluoro-4- [(trifluoromethyl)sulfanyl]...)
Show SMILES C[C@@H](NC(=O)c1cc(=O)[nH]c(n1)-c1ncccn1)c1ccc(SC(F)(F)F)c(F)c1 |r|
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1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD R & D (China) Co. LTD.

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 US9815796 (2017)


BindingDB Entry DOI: 10.7270/Q2V69MQQ
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM355416
PNG
(N-[(1R)-2,2-dimethyl-1-{4- [(trifluoromethyl)sulfa...)
Show SMILES COc1ccc(Cc2nc(cc(=O)[nH]2)C(=O)N[C@@H](c2ccc(SC(F)(F)F)cc2)C(C)(C)C)cc1F |r|
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1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD R & D (China) Co. LTD.

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 US9815796 (2017)


BindingDB Entry DOI: 10.7270/Q2V69MQQ
More data for this
Ligand-Target Pair
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