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Compile Data Set for Download or QSAR

Found 969 hits with Last Name = 'paone' and Initial = 'dv'   
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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320811
PNG
((R)- or (S)-1-(1-(4-(1,1-Difluoroethyl)-3- fluorop...)
Show SMILES CCC(c1ccc(c(F)c1)C(C)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
Show InChI InChI=1S/C19H21F4N5O/c1-5-14(10-6-7-11(12(21)8-10)19(2,22)23)28-16-15(13(9-20)26-28)17(29)25-18(24-16)27(3)4/h6-8,14H,5,9H2,1-4H3,(H,24,25,29)
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0.0160n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320710
PNG
((R)- or (S)-1-(1-(4-(1,1- Difluoroethyl)-3-fluorop...)
Show SMILES CC(C)C(c1ccc(c(F)c1)C(F)(F)F)n1nc(CO)c2c1nc([nH]c2=O)N(C)C
Show InChI InChI=1S/C19H21F4N5O2/c1-9(2)15(10-5-6-11(12(20)7-10)19(21,22)23)28-16-14(13(8-29)26-28)17(30)25-18(24-16)27(3)4/h5-7,9,15,29H,8H2,1-4H3,(H,24,25,30)
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0.0170n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320946
PNG
((R)- or (S)-1- (Cyclopropyl(4-(1,1- difluoroethyl)...)
Show SMILES CN(C)c1nc2n(nc(CO)c2c(=O)[nH]1)C(C1CC1)c1ccc(c(F)c1)C(C)(F)F
Show InChI InChI=1S/C20H22F3N5O2/c1-20(22,23)12-7-6-11(8-13(12)21)16(10-4-5-10)28-17-15(14(9-29)26-28)18(30)25-19(24-17)27(2)3/h6-8,10,16,29H,4-5,9H2,1-3H3,(H,24,25,30)
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0.0200n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320813
PNG
((R)- or (S)-1-(1-(4-(1,1-Difluoroethyl)-3- fluorop...)
Show SMILES CC(C)C(c1ccc(c(F)c1)C(C)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
Show InChI InChI=1S/C20H23F4N5O/c1-10(2)16(11-6-7-12(13(22)8-11)20(3,23)24)29-17-15(14(9-21)27-29)18(30)26-19(25-17)28(4)5/h6-8,10,16H,9H2,1-5H3,(H,25,26,30)
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0.0220n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320712
PNG
((R)- or (S)-1-(1-(4-(1,1- Difluoroethyl)-2-fluorop...)
Show SMILES CC(C)C(c1ccc(cc1F)C(C)(F)F)n1nc(CO)c2c1nc([nH]c2=O)N(C)C
Show InChI InChI=1S/C20H24F3N5O2/c1-10(2)16(12-7-6-11(8-13(12)21)20(3,22)23)28-17-15(14(9-29)26-28)18(30)25-19(24-17)27(4)5/h6-8,10,16,29H,9H2,1-5H3,(H,24,25,30)
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0.0240n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320710
PNG
((R)- or (S)-1-(1-(4-(1,1- Difluoroethyl)-3-fluorop...)
Show SMILES CC(C)C(c1ccc(c(F)c1)C(F)(F)F)n1nc(CO)c2c1nc([nH]c2=O)N(C)C
Show InChI InChI=1S/C19H21F4N5O2/c1-9(2)15(10-5-6-11(12(20)7-10)19(21,22)23)28-16-14(13(8-29)26-28)17(30)25-18(24-16)27(3)4/h5-7,9,15,29H,8H2,1-4H3,(H,24,25,30)
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0.0250n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320811
PNG
((R)- or (S)-1-(1-(4-(1,1-Difluoroethyl)-3- fluorop...)
Show SMILES CCC(c1ccc(c(F)c1)C(C)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
Show InChI InChI=1S/C19H21F4N5O/c1-5-14(10-6-7-11(12(21)8-10)19(2,22)23)28-16-15(13(9-20)26-28)17(29)25-18(24-16)27(3)4/h6-8,14H,5,9H2,1-4H3,(H,24,25,29)
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0.0270n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320944
PNG
((R)- or (S)-1-(1-(4- (difluoromethyl)-2- fluorophe...)
Show SMILES CCC(c1ccc(cc1F)C(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
Show InChI InChI=1S/C18H19F4N5O/c1-4-13(10-6-5-9(15(21)22)7-11(10)20)27-16-14(12(8-19)25-27)17(28)24-18(23-16)26(2)3/h5-7,13,15H,4,8H2,1-3H3,(H,23,24,28)
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0.0300n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320813
PNG
((R)- or (S)-1-(1-(4-(1,1-Difluoroethyl)-3- fluorop...)
Show SMILES CC(C)C(c1ccc(c(F)c1)C(C)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
Show InChI InChI=1S/C20H23F4N5O/c1-10(2)16(11-6-7-12(13(22)8-11)20(3,23)24)29-17-15(14(9-21)27-29)18(30)26-19(25-17)28(4)5/h6-8,10,16H,9H2,1-5H3,(H,25,26,30)
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0.0300n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320801
PNG
((R)- or (S)-l-(1-(4-(1,1- Difluoroethyl)phenyl)-2-...)
Show SMILES CC(C)C(c1ccc(cc1)C(C)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
Show InChI InChI=1S/C20H24F3N5O/c1-11(2)16(12-6-8-13(9-7-12)20(3,22)23)28-17-15(14(10-21)26-28)18(29)25-19(24-17)27(4)5/h6-9,11,16H,10H2,1-5H3,(H,24,25,29)
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0.0300n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50342639
PNG
(CHEMBL1770729 | N-((6S,9R)-6-(2,3-difluorophenyl)-...)
Show SMILES CC1(CCCO1)c1cnc2[C@@H](CC[C@H](Cn12)c1cccc(F)c1F)NC(=O)N1CCC2(CC1)OC(=O)Nc1ncccc21
Show InChI InChI=1S/C31H34F2N6O4/c1-30(10-4-16-42-30)24-17-35-27-23(9-8-19(18-39(24)27)20-5-2-7-22(32)25(20)33)36-28(40)38-14-11-31(12-15-38)21-6-3-13-34-26(21)37-29(41)43-31/h2-3,5-7,13,17,19,23H,4,8-12,14-16,18H2,1H3,(H,36,40)(H,34,37,41)/t19-,23-,30?/m1/s1
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0.0360n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CGRP from human recombinant CGRP receptor


Bioorg Med Chem Lett 21: 2683-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.054
BindingDB Entry DOI: 10.7270/Q2VM4CK8
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320712
PNG
((R)- or (S)-1-(1-(4-(1,1- Difluoroethyl)-2-fluorop...)
Show SMILES CC(C)C(c1ccc(cc1F)C(C)(F)F)n1nc(CO)c2c1nc([nH]c2=O)N(C)C
Show InChI InChI=1S/C20H24F3N5O2/c1-10(2)16(12-7-6-11(8-13(12)21)20(3,22)23)28-17-15(14(9-29)26-28)18(30)25-19(24-17)27(4)5/h6-8,10,16,29H,9H2,1-5H3,(H,24,25,30)
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0.0360n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320799
PNG
((R)- or (S)-1-(1-(4-(1,1- Difluoroethyl)phenyl)pro...)
Show SMILES CCC(c1ccc(cc1)C(C)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
Show InChI InChI=1S/C19H22F3N5O/c1-5-14(11-6-8-12(9-7-11)19(2,21)22)27-16-15(13(10-20)25-27)17(28)24-18(23-16)26(3)4/h6-9,14H,5,10H2,1-4H3,(H,23,24,28)
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0.0380n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50342638
PNG
(CHEMBL1770728 | N-((6S,9R)-6-(2,3-difluorophenyl)-...)
Show SMILES CCC(CC)(OC)c1cnc2[C@@H](CC[C@H](Cn12)c1cccc(F)c1F)NC(=O)N1CCC2(CC1)OC(=O)Nc1ncccc21
Show InChI InChI=1S/C32H38F2N6O4/c1-4-31(5-2,43-3)25-18-36-28-24(12-11-20(19-40(25)28)21-8-6-10-23(33)26(21)34)37-29(41)39-16-13-32(14-17-39)22-9-7-15-35-27(22)38-30(42)44-32/h6-10,15,18,20,24H,4-5,11-14,16-17,19H2,1-3H3,(H,37,41)(H,35,38,42)/t20-,24-/m1/s1
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0.0390n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CGRP from human recombinant CGRP receptor


Bioorg Med Chem Lett 21: 2683-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.054
BindingDB Entry DOI: 10.7270/Q2VM4CK8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50342625
PNG
(CHEMBL1770715 | N-((6S,9R)-6-(2,3-difluorophenyl)-...)
Show SMILES COC(C)(C)c1cnc2[C@@H](CC[C@H](Cn12)c1cccc(F)c1F)NC(=O)N1CCC(CC1)n1c2cccnc2[nH]c1=O
Show InChI InChI=1S/C30H35F2N7O3/c1-30(2,42-3)24-16-34-27-22(10-9-18(17-38(24)27)20-6-4-7-21(31)25(20)32)35-28(40)37-14-11-19(12-15-37)39-23-8-5-13-33-26(23)36-29(39)41/h4-8,13,16,18-19,22H,9-12,14-15,17H2,1-3H3,(H,35,40)(H,33,36,41)/t18-,22-/m1/s1
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0.0400n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CGRP from human recombinant CGRP receptor


Bioorg Med Chem Lett 21: 2683-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.054
BindingDB Entry DOI: 10.7270/Q2VM4CK8
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320732
PNG
((R)- or (S)-1-(1-(4-(1,1- Difluoroethyl)phenyl)-2-...)
Show SMILES CC(C)C(c1ccc(cc1)C(C)(F)F)n1nc(CO)c2c1nc([nH]c2=O)N(C)C
Show InChI InChI=1S/C20H25F2N5O2/c1-11(2)16(12-6-8-13(9-7-12)20(3,21)22)27-17-15(14(10-28)25-27)18(29)24-19(23-17)26(4)5/h6-9,11,16,28H,10H2,1-5H3,(H,23,24,29)
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0.0400n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320726
PNG
((R)- or (S)-6-(Dimethylamino)- 1-(1-(2-fluoro-4- (...)
Show SMILES CC(C)C(c1ccc(cc1F)C(F)(F)F)n1nc(CO)c2c1nc([nH]c2=O)N(C)C
Show InChI InChI=1S/C19H21F4N5O2/c1-9(2)15(11-6-5-10(7-12(11)20)19(21,22)23)28-16-14(13(8-29)26-28)17(30)25-18(24-16)27(3)4/h5-7,9,15,29H,8H2,1-4H3,(H,24,25,30)
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0.0400n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320795
PNG
((R)- or (S)-6-(Dimethylamino)-1-(1-(2- fluoro-4-(t...)
Show SMILES CC(C)C(c1ccc(cc1F)C(F)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
Show InChI InChI=1S/C19H20F5N5O/c1-9(2)15(11-6-5-10(7-12(11)21)19(22,23)24)29-16-14(13(8-20)27-29)17(30)26-18(25-16)28(3)4/h5-7,9,15H,8H2,1-4H3,(H,25,26,30)
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0.0410n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320797
PNG
((R)- or (S)-1-(Cyclopropyl(2-fluoro-4- (trifluorom...)
Show SMILES CN(C)c1nc2n(nc(CF)c2c(=O)[nH]1)C(C1CC1)c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C19H18F5N5O/c1-28(2)18-25-16-14(17(30)26-18)13(8-20)27-29(16)15(9-3-4-9)11-6-5-10(7-12(11)21)19(22,23)24/h5-7,9,15H,3-4,8H2,1-2H3,(H,25,26,30)
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0.0420n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320801
PNG
((R)- or (S)-l-(1-(4-(1,1- Difluoroethyl)phenyl)-2-...)
Show SMILES CC(C)C(c1ccc(cc1)C(C)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
Show InChI InChI=1S/C20H24F3N5O/c1-11(2)16(12-6-8-13(9-7-12)20(3,22)23)28-17-15(14(10-21)26-28)18(29)25-19(24-17)27(4)5/h6-9,11,16H,10H2,1-5H3,(H,24,25,29)
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0.0430n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320670
PNG
((R)- or (S)-6-(Dimethylamino)-3- (hydroxymethyl)-1...)
Show SMILES CC(C)C(c1ccc(cc1)C(C)C)n1nc(CO)c2c1nc([nH]c2=O)N(C)C
Show InChI InChI=1S/C21H29N5O2/c1-12(2)14-7-9-15(10-8-14)18(13(3)4)26-19-17(16(11-27)24-26)20(28)23-21(22-19)25(5)6/h7-10,12-13,18,27H,11H2,1-6H3,(H,22,23,28)
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0.0440n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320817
PNG
((R)- or (S)-6-(Dimethylamino)-1-(1-(3- fluoro-4-(t...)
Show SMILES CCC(c1ccc(c(F)c1)C(F)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
Show InChI InChI=1S/C18H18F5N5O/c1-4-13(9-5-6-10(11(20)7-9)18(21,22)23)28-15-14(12(8-19)26-28)16(29)25-17(24-15)27(2)3/h5-7,13H,4,8H2,1-3H3,(H,24,25,29)
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0.0440n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320809
PNG
((R)- or (S)-1-(1-(4-(1,1-Difluoroethyl)-2- fluorop...)
Show SMILES CCC(c1ccc(cc1F)C(C)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
Show InChI InChI=1S/C19H21F4N5O/c1-5-14(11-7-6-10(8-12(11)21)19(2,22)23)28-16-15(13(9-20)26-28)17(29)25-18(24-16)27(3)4/h6-8,14H,5,9H2,1-4H3,(H,24,25,29)
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0.0450n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320815
PNG
((R)- or (S)-6-(Dimethylamino)-1-(1-(3- fluoro-4-(t...)
Show SMILES CC(C)C(c1ccc(c(F)c1)C(F)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
Show InChI InChI=1S/C19H20F5N5O/c1-9(2)15(10-5-6-11(12(21)7-10)19(22,23)24)29-16-14(13(8-20)27-29)17(30)26-18(25-16)28(3)4/h5-7,9,15H,8H2,1-4H3,(H,25,26,30)
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0.0460n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320770
PNG
((R)- or (S)-6-(Dimethylamino)-3- (fluoromethyl)-1-...)
Show SMILES CC(C)C(c1ccc(cc1)C(C)C)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
Show InChI InChI=1S/C21H28FN5O/c1-12(2)14-7-9-15(10-8-14)18(13(3)4)27-19-17(16(11-22)25-27)20(28)24-21(23-19)26(5)6/h7-10,12-13,18H,11H2,1-6H3,(H,23,24,28)
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0.0470n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320728
PNG
((R)- or (S)-1-(Cyclopropyl(2- fluoro-4- (trifluoro...)
Show SMILES CN(C)c1nc2n(nc(CO)c2c(=O)[nH]1)C(C1CC1)c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C19H19F4N5O2/c1-27(2)18-24-16-14(17(30)25-18)13(8-29)26-28(16)15(9-3-4-9)11-6-5-10(7-12(11)20)19(21,22)23/h5-7,9,15,29H,3-4,8H2,1-2H3,(H,24,25,30)
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0.0470n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320793
PNG
((R)- or (S)-6-(Dimethylamino)-1-(1-(2- fluoro-4-(t...)
Show SMILES CCC(c1ccc(cc1F)C(F)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
Show InChI InChI=1S/C18H18F5N5O/c1-4-13(10-6-5-9(7-11(10)20)18(21,22)23)28-15-14(12(8-19)26-28)16(29)25-17(24-15)27(2)3/h5-7,13H,4,8H2,1-3H3,(H,24,25,29)
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0.0480n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320789
PNG
((R)- or (S)-1-(1-(4-(1,1- Difluoroethyl)phenyl)eth...)
Show SMILES CC(c1ccc(cc1)C(C)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
Show InChI InChI=1S/C18H20F3N5O/c1-10(11-5-7-12(8-6-11)18(2,20)21)26-15-14(13(9-19)24-26)16(27)23-17(22-15)25(3)4/h5-8,10H,9H2,1-4H3,(H,22,23,27)
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0.0480n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320728
PNG
((R)- or (S)-1-(Cyclopropyl(2- fluoro-4- (trifluoro...)
Show SMILES CN(C)c1nc2n(nc(CO)c2c(=O)[nH]1)C(C1CC1)c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C19H19F4N5O2/c1-27(2)18-24-16-14(17(30)25-18)13(8-29)26-28(16)15(9-3-4-9)11-6-5-10(7-12(11)20)19(21,22)23/h5-7,9,15,29H,3-4,8H2,1-2H3,(H,24,25,30)
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0.0500n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50342636
PNG
(CHEMBL1770726 | N-((6S,9R)-6-(2,3-difluorophenyl)-...)
Show SMILES CCOC(C)(C)c1cnc2[C@@H](CC[C@H](Cn12)c1cccc(F)c1F)NC(=O)N1CCC2(CC1)OC(=O)Nc1ncccc21
Show InChI InChI=1S/C31H36F2N6O4/c1-4-42-30(2,3)24-17-35-27-23(11-10-19(18-39(24)27)20-7-5-9-22(32)25(20)33)36-28(40)38-15-12-31(13-16-38)21-8-6-14-34-26(21)37-29(41)43-31/h5-9,14,17,19,23H,4,10-13,15-16,18H2,1-3H3,(H,36,40)(H,34,37,41)/t19-,23-/m1/s1
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0.0500n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CGRP from human recombinant CGRP receptor


Bioorg Med Chem Lett 21: 2683-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.054
BindingDB Entry DOI: 10.7270/Q2VM4CK8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50342634
PNG
(CHEMBL1770724 | N-((6S,9R)-6-(2,3-difluorophenyl)-...)
Show SMILES COC(C)(C)c1cnc2[C@@H](CC[C@H](Cn12)c1cccc(F)c1F)NC(=O)N1CCC2(CC1)OC(=O)Nc1ncccc21
Show InChI InChI=1S/C30H34F2N6O4/c1-29(2,41-3)23-16-34-26-22(10-9-18(17-38(23)26)19-6-4-8-21(31)24(19)32)35-27(39)37-14-11-30(12-15-37)20-7-5-13-33-25(20)36-28(40)42-30/h4-8,13,16,18,22H,9-12,14-15,17H2,1-3H3,(H,35,39)(H,33,36,40)/t18-,22-/m1/s1
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0.0500n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CGRP from human recombinant CGRP receptor


Bioorg Med Chem Lett 21: 2683-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.054
BindingDB Entry DOI: 10.7270/Q2VM4CK8
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320809
PNG
((R)- or (S)-1-(1-(4-(1,1-Difluoroethyl)-2- fluorop...)
Show SMILES CCC(c1ccc(cc1F)C(C)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
Show InChI InChI=1S/C19H21F4N5O/c1-5-14(11-7-6-10(8-12(11)21)19(2,22)23)28-16-15(13(9-20)26-28)17(29)25-18(24-16)27(3)4/h6-8,14H,5,9H2,1-4H3,(H,24,25,29)
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0.0500n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320948
PNG
((R)- or (S)-1- (Cyclopropyl(4-(1,1- difluoroethyl)...)
Show SMILES CN(C)c1nc2n(nc(CO)c2c(=O)[nH]1)C(C1CC1)c1ccc(cc1F)C(C)(F)F
Show InChI InChI=1S/C20H22F3N5O2/c1-20(22,23)11-6-7-12(13(21)8-11)16(10-4-5-10)28-17-15(14(9-29)26-28)18(30)25-19(24-17)27(2)3/h6-8,10,16,29H,4-5,9H2,1-3H3,(H,24,25,30)
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0.0500n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320807
PNG
((R)- or (S)-1-(Cyclopropyl(4-(1,1- difluoroethyl)p...)
Show SMILES CN(C)c1nc2n(nc(CF)c2c(=O)[nH]1)C(C1CC1)c1ccc(cc1)C(C)(F)F
Show InChI InChI=1S/C20H22F3N5O/c1-20(22,23)13-8-6-12(7-9-13)16(11-4-5-11)28-17-15(14(10-21)26-28)18(29)25-19(24-17)27(2)3/h6-9,11,16H,4-5,10H2,1-3H3,(H,24,25,29)
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0.0530n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320670
PNG
((R)- or (S)-6-(Dimethylamino)-3- (hydroxymethyl)-1...)
Show SMILES CC(C)C(c1ccc(cc1)C(C)C)n1nc(CO)c2c1nc([nH]c2=O)N(C)C
Show InChI InChI=1S/C21H29N5O2/c1-12(2)14-7-9-15(10-8-14)18(13(3)4)26-19-17(16(11-27)24-26)20(28)23-21(22-19)25(5)6/h7-10,12-13,18,27H,11H2,1-6H3,(H,22,23,28)
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0.0540n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320706
PNG
((R)- or (S)-1-(1-(4-(1,1- Difluoroethyl)-3- fluoro...)
Show SMILES CCC(c1ccc(c(F)c1)C(F)(F)F)n1nc(CO)c2c1nc([nH]c2=O)N(C)C
Show InChI InChI=1S/C18H19F4N5O2/c1-4-13(9-5-6-10(11(19)7-9)18(20,21)22)27-15-14(12(8-28)25-27)16(29)24-17(23-15)26(2)3/h5-7,13,28H,4,8H2,1-3H3,(H,23,24,29)
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0.0550n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320756
PNG
(US10174037, Example 162 | US10174037, Example 163)
Show SMILES CC(C)[C@@H](c1ccc(cc1)C(F)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
Show InChI InChI=1S/C19H21F4N5O/c1-10(2)15(11-5-7-12(8-6-11)19(21,22)23)28-16-14(13(9-20)26-28)17(29)25-18(24-16)27(3)4/h5-8,10,15H,9H2,1-4H3,(H,24,25,29)/t15-/m0/s1
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0.0560n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320706
PNG
((R)- or (S)-1-(1-(4-(1,1- Difluoroethyl)-3- fluoro...)
Show SMILES CCC(c1ccc(c(F)c1)C(F)(F)F)n1nc(CO)c2c1nc([nH]c2=O)N(C)C
Show InChI InChI=1S/C18H19F4N5O2/c1-4-13(9-5-6-10(11(19)7-9)18(20,21)22)27-15-14(12(8-28)25-27)16(29)24-17(23-15)26(2)3/h5-7,13,28H,4,8H2,1-3H3,(H,23,24,29)
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0.0570n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320770
PNG
((R)- or (S)-6-(Dimethylamino)-3- (fluoromethyl)-1-...)
Show SMILES CC(C)C(c1ccc(cc1)C(C)C)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
Show InChI InChI=1S/C21H28FN5O/c1-12(2)14-7-9-15(10-8-14)18(13(3)4)27-19-17(16(11-22)25-27)20(28)24-21(23-19)26(5)6/h7-10,12-13,18H,11H2,1-6H3,(H,23,24,28)
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0.0580n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320797
PNG
((R)- or (S)-1-(Cyclopropyl(2-fluoro-4- (trifluorom...)
Show SMILES CN(C)c1nc2n(nc(CF)c2c(=O)[nH]1)C(C1CC1)c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C19H18F5N5O/c1-28(2)18-25-16-14(17(30)26-18)13(8-20)27-29(16)15(9-3-4-9)11-6-5-10(7-12(11)21)19(22,23)24/h5-7,9,15H,3-4,8H2,1-2H3,(H,25,26,30)
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0.0580n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320774
PNG
((R)- or (S)-1-(Cyclopropyl(3-fluoro-4- (trifluorom...)
Show SMILES CN(C)c1nc2n(nc(CF)c2c(=O)[nH]1)C(C1CC1)c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C19H18F5N5O/c1-28(2)18-25-16-14(17(30)26-18)13(8-20)27-29(16)15(9-3-4-9)10-5-6-11(12(21)7-10)19(22,23)24/h5-7,9,15H,3-4,8H2,1-2H3,(H,25,26,30)
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0.0580n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320726
PNG
((R)- or (S)-6-(Dimethylamino)- 1-(1-(2-fluoro-4- (...)
Show SMILES CC(C)C(c1ccc(cc1F)C(F)(F)F)n1nc(CO)c2c1nc([nH]c2=O)N(C)C
Show InChI InChI=1S/C19H21F4N5O2/c1-9(2)15(11-6-5-10(7-12(11)20)19(21,22)23)28-16-14(13(8-29)26-28)17(30)25-18(24-16)27(3)4/h5-7,9,15,29H,8H2,1-4H3,(H,24,25,30)
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0.0590n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320710
PNG
((R)- or (S)-1-(1-(4-(1,1- Difluoroethyl)-3-fluorop...)
Show SMILES CC(C)C(c1ccc(c(F)c1)C(F)(F)F)n1nc(CO)c2c1nc([nH]c2=O)N(C)C
Show InChI InChI=1S/C19H21F4N5O2/c1-9(2)15(10-5-6-11(12(20)7-10)19(21,22)23)28-16-14(13(8-29)26-28)17(30)25-18(24-16)27(3)4/h5-7,9,15,29H,8H2,1-4H3,(H,24,25,30)
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0.0630n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320817
PNG
((R)- or (S)-6-(Dimethylamino)-1-(1-(3- fluoro-4-(t...)
Show SMILES CCC(c1ccc(c(F)c1)C(F)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
Show InChI InChI=1S/C18H18F5N5O/c1-4-13(9-5-6-10(11(20)7-9)18(21,22)23)28-15-14(12(8-19)26-28)16(29)25-17(24-15)27(2)3/h5-7,13H,4,8H2,1-3H3,(H,24,25,29)
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0.0630n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320766
PNG
((R)- or (S)-6-(Dimethylamino)-3- (fluoromethyl)-1-...)
Show SMILES CCC(c1ccc(cc1)C(F)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
Show InChI InChI=1S/C18H19F4N5O/c1-4-13(10-5-7-11(8-6-10)18(20,21)22)27-15-14(12(9-19)25-27)16(28)24-17(23-15)26(2)3/h5-8,13H,4,9H2,1-3H3,(H,23,24,28)
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0.0630n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320732
PNG
((R)- or (S)-1-(1-(4-(1,1- Difluoroethyl)phenyl)-2-...)
Show SMILES CC(C)C(c1ccc(cc1)C(C)(F)F)n1nc(CO)c2c1nc([nH]c2=O)N(C)C
Show InChI InChI=1S/C20H25F2N5O2/c1-11(2)16(12-6-8-13(9-7-12)20(3,21)22)27-17-15(14(10-28)25-27)18(29)24-19(23-17)26(4)5/h6-9,11,16,28H,10H2,1-5H3,(H,23,24,29)
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0.0640n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320776
PNG
((R)- or (S)-1-(Cyclopropyl(3-fluoro-4- (trifluorom...)
Show SMILES CC(C)c1ccc(cc1)C(C1CC1)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
Show InChI InChI=1S/C21H26FN5O/c1-12(2)13-5-7-14(8-6-13)18(15-9-10-15)27-19-17(16(11-22)25-27)20(28)24-21(23-19)26(3)4/h5-8,12,15,18H,9-11H2,1-4H3,(H,23,24,28)
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0.0640n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320815
PNG
((R)- or (S)-6-(Dimethylamino)-1-(1-(3- fluoro-4-(t...)
Show SMILES CC(C)C(c1ccc(c(F)c1)C(F)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
Show InChI InChI=1S/C19H20F5N5O/c1-9(2)15(10-5-6-11(12(21)7-10)19(22,23)24)29-16-14(13(8-20)27-29)17(30)26-18(25-16)28(3)4/h5-7,9,15H,8H2,1-4H3,(H,25,26,30)
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0.0670n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320710
PNG
((R)- or (S)-1-(1-(4-(1,1- Difluoroethyl)-3-fluorop...)
Show SMILES CC(C)C(c1ccc(c(F)c1)C(F)(F)F)n1nc(CO)c2c1nc([nH]c2=O)N(C)C
Show InChI InChI=1S/C19H21F4N5O2/c1-9(2)15(10-5-6-11(12(20)7-10)19(21,22)23)28-16-14(13(8-29)26-28)17(30)25-18(24-16)27(3)4/h5-7,9,15,29H,8H2,1-4H3,(H,24,25,30)
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0.0680n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320793
PNG
((R)- or (S)-6-(Dimethylamino)-1-(1-(2- fluoro-4-(t...)
Show SMILES CCC(c1ccc(cc1F)C(F)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
Show InChI InChI=1S/C18H18F5N5O/c1-4-13(10-6-5-9(7-11(10)20)18(21,22)23)28-15-14(12(8-19)26-28)16(29)25-17(24-15)27(2)3/h5-7,13H,4,8H2,1-3H3,(H,24,25,29)
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0.0680n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluor...


US Patent US10174037 (2019)


Article DOI: 10.1021/jm060207o
More data for this
Ligand-Target Pair
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