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Compile Data Set for Download or QSAR

Found 167 hits Enz. Inhib. hit(s) with Target = 'Phosphodiesterase 4 (PDE4)'   
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 4 (PDE4)


(Mus musculus (Mouse))
BDBM140174
PNG
(US8901315, 382)
Show SMILES Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)Nc1ccc(nc1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:27.30,wD:30.34,(-9.24,3.43,;-8.47,2.1,;-9.38,.85,;-8.47,-.39,;-8.87,-1.88,;-10.36,-2.28,;-10.76,-3.77,;-9.67,-4.85,;-8.18,-4.46,;-7.78,-2.97,;-7.01,.08,;-5.55,-.39,;-4.64,.85,;-5.55,2.1,;-7.01,1.62,;-3.1,.85,;-2.33,-.48,;-2.33,2.19,;-.79,2.19,;-.02,3.52,;1.52,3.52,;2.29,2.19,;1.52,.85,;-.02,.85,;3.83,2.19,;4.6,.85,;4.6,3.52,;6.14,3.52,;6.91,4.85,;8.45,4.85,;9.22,3.52,;10.76,3.52,;8.45,2.19,;6.91,2.19,)|
Show InChI InChI=1S/C25H31N5O3S/c1-15-20-13-22(34-25(20)30(29-15)18-5-3-2-4-6-18)24(33)28-17-9-12-21(26-14-17)23(32)27-16-7-10-19(31)11-8-16/h9,12-14,16,18-19,31H,2-8,10-11H2,1H3,(H,27,32)(H,28,33)/t16-,19-
PDB

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US Patent
n/an/a 620n/an/an/an/a6.54



Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140086
PNG
(US8901315, 165)
Show SMILES CNC1CCN(CC1)c1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cc1Cl
Show InChI InChI=1S/C25H32ClN5OS/c1-16-20-15-23(33-25(20)31(29-16)19-6-4-3-5-7-19)24(32)28-18-8-9-22(21(26)14-18)30-12-10-17(27-2)11-13-30/h8-9,14-15,17,19,27H,3-7,10-13H2,1-2H3,(H,28,32)
PDB

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n/an/a 650n/an/an/an/a6.54



Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140173
PNG
(US8901315, 381)
Show SMILES CN(C)CCNC(=O)c1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cn1
Show InChI InChI=1S/C23H30N6O2S/c1-15-18-13-20(32-23(18)29(27-15)17-7-5-4-6-8-17)22(31)26-16-9-10-19(25-14-16)21(30)24-11-12-28(2)3/h9-10,13-14,17H,4-8,11-12H2,1-3H3,(H,24,30)(H,26,31)
PDB

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n/an/a 670n/an/an/an/a6.54



Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140099
PNG
(US8901315, 188)
Show SMILES Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)N[C@H]1CC[C@@H](CC1)N1CCNCC1 |r,wU:18.20,wD:21.27,(-7.32,4.1,;-6.55,2.77,;-7.46,1.52,;-6.55,.27,;-6.95,-1.21,;-8.44,-1.61,;-8.83,-3.1,;-7.75,-4.19,;-6.26,-3.79,;-5.86,-2.3,;-5.09,.75,;-3.62,.27,;-2.72,1.52,;-3.62,2.77,;-5.09,2.29,;-1.18,1.52,;-.41,.19,;-.41,2.85,;1.13,2.85,;1.9,4.19,;3.44,4.19,;4.21,2.85,;3.44,1.52,;1.9,1.52,;5.75,2.85,;6.52,1.52,;8.06,1.52,;8.83,2.85,;8.06,4.19,;6.52,4.19,)|
Show InChI InChI=1S/C23H35N5OS/c1-16-20-15-21(30-23(20)28(26-16)19-5-3-2-4-6-19)22(29)25-17-7-9-18(10-8-17)27-13-11-24-12-14-27/h15,17-19,24H,2-14H2,1H3,(H,25,29)/t17-,18-
PDB

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n/an/a 700n/an/an/an/a6.54



Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140079
PNG
(US8901315, 150)
Show SMILES COc1cc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)ccc1C(=O)NCCO
Show InChI InChI=1S/C23H28N4O4S/c1-14-18-13-20(32-23(18)27(26-14)16-6-4-3-5-7-16)22(30)25-15-8-9-17(19(12-15)31-2)21(29)24-10-11-28/h8-9,12-13,16,28H,3-7,10-11H2,1-2H3,(H,24,29)(H,25,30)
PDB

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n/an/a 700n/an/an/an/a6.54



Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140095
PNG
(US8901315, 179)
Show SMILES CNC1CCN(CC1)[C@H]1CC[C@@H](CC1)NC(=O)c1cc2c(C)nn(C3CCCCC3)c2s1 |r,wU:11.15,wD:8.8,(9.99,4.19,;9.22,2.85,;7.68,2.85,;6.91,1.52,;5.37,1.52,;4.6,2.85,;5.37,4.19,;6.91,4.19,;3.06,2.85,;2.29,4.19,;.75,4.19,;-.02,2.85,;.75,1.52,;2.29,1.52,;-1.56,2.85,;-2.33,1.52,;-1.56,.19,;-3.87,1.52,;-4.78,2.77,;-6.24,2.29,;-7.7,2.77,;-8.47,4.1,;-8.61,1.52,;-7.7,.27,;-8.1,-1.21,;-9.59,-1.61,;-9.99,-3.1,;-8.9,-4.19,;-7.41,-3.79,;-7.01,-2.3,;-6.24,.75,;-4.78,.27,)|
Show InChI InChI=1S/C25H39N5OS/c1-17-22-16-23(32-25(22)30(28-17)21-6-4-3-5-7-21)24(31)27-19-8-10-20(11-9-19)29-14-12-18(26-2)13-15-29/h16,18-21,26H,3-15H2,1-2H3,(H,27,31)/t19-,20-
PDB

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n/an/a 750n/an/an/an/a6.54



Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140128
PNG
(US8901315, 256)
Show SMILES Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)Nc1ccc(nc1)N1CCNC1=O
Show InChI InChI=1S/C21H24N6O2S/c1-13-16-11-17(30-20(16)27(25-13)15-5-3-2-4-6-15)19(28)24-14-7-8-18(23-12-14)26-10-9-22-21(26)29/h7-8,11-12,15H,2-6,9-10H2,1H3,(H,22,29)(H,24,28)
PDB

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n/an/a 810n/an/an/an/a6.54



Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140097
PNG
(US8901315, 181)
Show SMILES CN(C)C1CCN(CC1)[C@H]1CC[C@@H](CC1)NC(=O)c1cc2c(C)nn(C3CCCCC3)c2s1 |r,wU:12.16,wD:9.9,(9.99,4.19,;9.22,2.85,;9.99,1.52,;7.68,2.85,;6.91,1.52,;5.37,1.52,;4.6,2.85,;5.37,4.19,;6.91,4.19,;3.06,2.85,;2.29,4.19,;.75,4.19,;-.02,2.85,;.75,1.52,;2.29,1.52,;-1.56,2.85,;-2.33,1.52,;-1.56,.19,;-3.87,1.52,;-4.78,2.77,;-6.24,2.29,;-7.7,2.77,;-8.47,4.1,;-8.61,1.52,;-7.7,.27,;-8.1,-1.21,;-9.59,-1.61,;-9.99,-3.1,;-8.9,-4.19,;-7.41,-3.79,;-7.01,-2.3,;-6.24,.75,;-4.78,.27,)|
Show InChI InChI=1S/C26H41N5OS/c1-18-23-17-24(33-26(23)31(28-18)22-7-5-4-6-8-22)25(32)27-19-9-11-21(12-10-19)30-15-13-20(14-16-30)29(2)3/h17,19-22H,4-16H2,1-3H3,(H,27,32)/t19-,21-
PDB

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n/an/a 860n/an/an/an/a6.54



Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140177
PNG
(US8901315, 396)
Show SMILES Cc1nn(C2CCOCC2)c2sc(cc12)C(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC1)S(C)(=O)=O |r,wU:18.20,wD:21.27,(-8.76,4.1,;-7.99,2.77,;-8.89,1.52,;-7.99,.27,;-8.39,-1.21,;-9.87,-1.61,;-10.27,-3.1,;-9.18,-4.19,;-7.69,-3.79,;-7.3,-2.3,;-6.52,.75,;-5.06,.27,;-4.15,1.52,;-5.06,2.77,;-6.52,2.29,;-2.61,1.52,;-1.84,.19,;-1.84,2.85,;-.3,2.85,;.47,4.19,;2.01,4.19,;2.78,2.85,;2.01,1.52,;.47,1.52,;4.32,2.85,;5.09,4.19,;6.63,4.19,;7.4,2.85,;6.63,1.52,;5.09,1.52,;8.94,2.85,;9.71,4.19,;8.17,1.52,;10.27,2.08,)|
Show InChI InChI=1S/C23H35N5O4S2/c1-16-20-15-21(33-23(20)28(25-16)19-7-13-32-14-8-19)22(29)24-17-3-5-18(6-4-17)26-9-11-27(12-10-26)34(2,30)31/h15,17-19H,3-14H2,1-2H3,(H,24,29)/t17-,18-
PDB

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n/an/a 900n/an/an/an/a6.54



Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140085
PNG
(US8901315, 163)
Show SMILES CNC1CCN(CC1)c1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cc1F
Show InChI InChI=1S/C25H32FN5OS/c1-16-20-15-23(33-25(20)31(29-16)19-6-4-3-5-7-19)24(32)28-18-8-9-22(21(26)14-18)30-12-10-17(27-2)11-13-30/h8-9,14-15,17,19,27H,3-7,10-13H2,1-2H3,(H,28,32)
PDB

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n/an/a 900n/an/an/an/a6.54



Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140169
PNG
(US8901315, 375)
Show SMILES Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)Nc1ccc(N2CCC(O)CC2)c(c1)C(O)=O
Show InChI InChI=1S/C25H30N4O4S/c1-15-19-14-22(34-24(19)29(27-15)17-5-3-2-4-6-17)23(31)26-16-7-8-21(20(13-16)25(32)33)28-11-9-18(30)10-12-28/h7-8,13-14,17-18,30H,2-6,9-12H2,1H3,(H,26,31)(H,32,33)
PDB

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n/an/a 930n/an/an/an/a6.54



Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140101
PNG
(US8901315, 191)
Show SMILES CN1CCCN(CC1)c1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cc1F
Show InChI InChI=1S/C25H32FN5OS/c1-17-20-16-23(33-25(20)31(28-17)19-7-4-3-5-8-19)24(32)27-18-9-10-22(21(26)15-18)30-12-6-11-29(2)13-14-30/h9-10,15-16,19H,3-8,11-14H2,1-2H3,(H,27,32)
PDB

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n/an/a 980n/an/an/an/a6.54



Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140065
PNG
(US8901315, 109)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cn1
Show InChI InChI=1S/C23H30N6OS/c1-16-19-14-20(31-23(19)29(26-16)18-6-4-3-5-7-18)22(30)25-17-8-9-21(24-15-17)28-12-10-27(2)11-13-28/h8-9,14-15,18H,3-7,10-13H2,1-2H3,(H,25,30)
PDB

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n/an/a 1.00E+3n/an/an/an/a6.54



Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140051
PNG
(US8901315, 73)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cc1
Show InChI InChI=1S/C25H31N5O2S/c1-17-22-16-23(33-25(22)30(27-17)21-6-4-3-5-7-21)24(32)26-19-8-10-20(11-9-19)29-14-12-28(13-15-29)18(2)31/h8-11,16,21H,3-7,12-15H2,1-2H3,(H,26,32)
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Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140088
PNG
(US8901315, 167)
Show SMILES CN1CCCN(CC1)[C@H]1CC[C@@H](CC1)NC(=O)c1cc2c(C)nn(C3CCCCC3)c2s1 |r,wU:11.15,wD:8.8,(9.65,1.12,;8.31,1.89,;8.31,3.43,;7.11,4.39,;5.61,4.04,;4.94,2.66,;5.61,1.27,;7.11,.93,;3.4,2.66,;2.63,3.99,;1.09,3.99,;.32,2.66,;1.09,1.32,;2.63,1.32,;-1.22,2.66,;-1.99,1.32,;-1.22,-.01,;-3.53,1.32,;-4.43,2.57,;-5.9,2.09,;-7.36,2.57,;-8.13,3.9,;-8.27,1.32,;-7.36,.08,;-7.76,-1.41,;-9.25,-1.81,;-9.65,-3.3,;-8.56,-4.39,;-7.07,-3.99,;-6.67,-2.5,;-5.9,.55,;-4.43,.08,)|
Show InChI InChI=1S/C25H39N5OS/c1-18-22-17-23(32-25(22)30(27-18)21-7-4-3-5-8-21)24(31)26-19-9-11-20(12-10-19)29-14-6-13-28(2)15-16-29/h17,19-21H,3-16H2,1-2H3,(H,26,31)/t19-,20-
PDB

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n/an/a 1.00E+3n/an/an/an/a6.54



Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140098
PNG
(US8901315, 184)
Show SMILES Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)N[C@H]1CC[C@@H](CC1)N1CCC(N)CC1 |r,wU:18.20,wD:21.27,(-8.09,4.1,;-7.32,2.77,;-8.23,1.52,;-7.32,.27,;-7.72,-1.21,;-9.21,-1.61,;-9.6,-3.1,;-8.52,-4.19,;-7.03,-3.79,;-6.63,-2.3,;-5.86,.75,;-4.39,.27,;-3.49,1.52,;-4.39,2.77,;-5.86,2.29,;-1.95,1.52,;-1.18,.19,;-1.18,2.85,;.36,2.85,;1.13,4.19,;2.67,4.19,;3.44,2.85,;2.67,1.52,;1.13,1.52,;4.98,2.85,;5.75,1.52,;7.29,1.52,;8.06,2.85,;9.6,2.85,;7.29,4.19,;5.75,4.19,)|
Show InChI InChI=1S/C24H37N5OS/c1-16-21-15-22(31-24(21)29(27-16)20-5-3-2-4-6-20)23(30)26-18-7-9-19(10-8-18)28-13-11-17(25)12-14-28/h15,17-20H,2-14,25H2,1H3,(H,26,30)/t18-,19-
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Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140068
PNG
(US8901315, 112)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2cc3c(C)nn(C4CCCCCC4)c3s2)cc1
Show InChI InChI=1S/C25H33N5OS/c1-18-22-17-23(32-25(22)30(27-18)21-7-5-3-4-6-8-21)24(31)26-19-9-11-20(12-10-19)29-15-13-28(2)14-16-29/h9-12,17,21H,3-8,13-16H2,1-2H3,(H,26,31)
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Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140142
PNG
(US8901315, 275)
Show SMILES CN1CC(=O)N([C@H]2CC[C@@H](CC2)NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)C1=O |r,wU:9.12,wD:6.5,(9.15,.69,;7.81,1.46,;7.81,3,;6.35,3.48,;5.58,4.81,;5.44,2.23,;3.9,2.23,;3.13,3.56,;1.59,3.56,;.82,2.23,;1.59,.9,;3.13,.9,;-.72,2.23,;-1.49,.9,;-.72,-.44,;-3.03,.9,;-3.93,2.14,;-5.4,1.67,;-6.86,2.14,;-7.63,3.48,;-7.77,.9,;-6.86,-.35,;-7.26,-1.84,;-8.75,-2.23,;-9.15,-3.72,;-8.06,-4.81,;-6.57,-4.41,;-6.17,-2.92,;-5.4,.13,;-3.93,-.35,;6.35,.99,;5.58,-.35,)|
Show InChI InChI=1S/C23H31N5O3S/c1-14-18-12-19(32-22(18)28(25-14)17-6-4-3-5-7-17)21(30)24-15-8-10-16(11-9-15)27-20(29)13-26(2)23(27)31/h12,15-17H,3-11,13H2,1-2H3,(H,24,30)/t15-,16-
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Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140171
PNG
(US8901315, 379)
Show SMILES Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)Nc1ccc(nc1)C(=O)NCCO
Show InChI InChI=1S/C21H25N5O3S/c1-13-16-11-18(30-21(16)26(25-13)15-5-3-2-4-6-15)20(29)24-14-7-8-17(23-12-14)19(28)22-9-10-27/h7-8,11-12,15,27H,2-6,9-10H2,1H3,(H,22,28)(H,24,29)
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Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140063
PNG
(US8901315, 106 | US8901315, 107)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cc1
Show InChI InChI=1S/C24H31N5OS/c1-17-21-16-22(31-24(21)29(26-17)20-6-4-3-5-7-20)23(30)25-18-8-10-19(11-9-18)28-14-12-27(2)13-15-28/h8-11,16,20H,3-7,12-15H2,1-2H3,(H,25,30)
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Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140050
PNG
(US8901315, 72)
Show SMILES Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)Nc1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C23H29N5OS/c1-16-20-15-21(30-23(20)28(26-16)19-5-3-2-4-6-19)22(29)25-17-7-9-18(10-8-17)27-13-11-24-12-14-27/h7-10,15,19,24H,2-6,11-14H2,1H3,(H,25,29)
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Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140184
PNG
(US8901315, 416)
Show SMILES CN1CCN([C@H]2CC[C@@H](CC2)NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)C(=O)C1 |r,wU:8.11,wD:5.4,(9.6,2.19,;8.06,2.19,;7.29,.85,;5.75,.85,;4.98,2.19,;3.44,2.19,;2.67,3.52,;1.13,3.52,;.36,2.19,;1.13,.85,;2.67,.85,;-1.18,2.19,;-1.95,.85,;-1.18,-.48,;-3.49,.85,;-4.39,2.1,;-5.86,1.62,;-7.32,2.1,;-8.09,3.43,;-8.23,.85,;-7.32,-.39,;-7.72,-1.88,;-9.21,-2.28,;-9.6,-3.77,;-8.52,-4.85,;-7.03,-4.46,;-6.63,-2.97,;-5.86,.08,;-4.39,-.39,;5.75,3.52,;4.98,4.85,;7.29,3.52,)|
Show InChI InChI=1S/C24H35N5O2S/c1-16-20-14-21(32-24(20)29(26-16)19-6-4-3-5-7-19)23(31)25-17-8-10-18(11-9-17)28-13-12-27(2)15-22(28)30/h14,17-19H,3-13,15H2,1-2H3,(H,25,31)/t17-,18-
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Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140090
PNG
(US8901315, 170)
Show SMILES Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)N[C@H]1CC[C@@H](CC1)N1CCCNCC1 |r,wU:18.20,wD:21.27,(-7.47,3.9,;-6.7,2.57,;-7.6,1.32,;-6.7,.08,;-7.1,-1.41,;-8.58,-1.81,;-8.98,-3.3,;-7.89,-4.39,;-6.4,-3.99,;-6.01,-2.5,;-5.23,.55,;-3.77,.08,;-2.86,1.32,;-3.77,2.57,;-5.23,2.09,;-1.32,1.32,;-.55,-.01,;-.55,2.66,;.99,2.66,;1.76,3.99,;3.3,3.99,;4.07,2.66,;3.3,1.32,;1.76,1.32,;5.61,2.66,;6.28,4.04,;7.78,4.39,;8.98,3.43,;8.98,1.89,;7.78,.93,;6.28,1.27,)|
Show InChI InChI=1S/C24H37N5OS/c1-17-21-16-22(31-24(21)29(27-17)20-6-3-2-4-7-20)23(30)26-18-8-10-19(11-9-18)28-14-5-12-25-13-15-28/h16,18-20,25H,2-15H2,1H3,(H,26,30)/t18-,19-
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Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140087
PNG
(US8901315, 166)
Show SMILES CN1CCN(CC1)[C@H]1CC[C@@H](CC1)NC(=O)c1cc2c(C)nn(C3CCCCC3)c2s1 |r,wU:10.14,wD:7.7,(9.6,2.85,;8.06,2.85,;7.29,1.52,;5.75,1.52,;4.98,2.85,;5.75,4.19,;7.29,4.19,;3.44,2.85,;2.67,4.19,;1.13,4.19,;.36,2.85,;1.13,1.52,;2.67,1.52,;-1.18,2.85,;-1.95,1.52,;-1.18,.19,;-3.49,1.52,;-4.39,2.77,;-5.86,2.29,;-7.32,2.77,;-8.09,4.1,;-8.23,1.52,;-7.32,.27,;-7.72,-1.21,;-9.21,-1.61,;-9.6,-3.1,;-8.52,-4.19,;-7.03,-3.79,;-6.63,-2.3,;-5.86,.75,;-4.39,.27,)|
Show InChI InChI=1S/C24H37N5OS/c1-17-21-16-22(31-24(21)29(26-17)20-6-4-3-5-7-20)23(30)25-18-8-10-19(11-9-18)28-14-12-27(2)13-15-28/h16,18-20H,3-15H2,1-2H3,(H,25,30)/t18-,19-
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Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140060
PNG
(US8901315, 101)
Show SMILES COCC(=O)Nc1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cc1
Show InChI InChI=1S/C22H26N4O3S/c1-14-18-12-19(30-22(18)26(25-14)17-6-4-3-5-7-17)21(28)24-16-10-8-15(9-11-16)23-20(27)13-29-2/h8-12,17H,3-7,13H2,1-2H3,(H,23,27)(H,24,28)
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Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140096
PNG
(US8901315, 180)
Show SMILES CN(C1CCN(CC1)[C@H]1CC[C@@H](CC1)NC(=O)c1cc2c(C)nn(C3CCCCC3)c2s1)C(C)=O |r,wU:11.15,wD:8.8,(9.22,4.19,;8.45,2.85,;6.91,2.85,;6.14,1.52,;4.6,1.52,;3.83,2.85,;4.6,4.19,;6.14,4.19,;2.29,2.85,;1.52,4.19,;-.02,4.19,;-.79,2.85,;-.02,1.52,;1.52,1.52,;-2.33,2.85,;-3.1,1.52,;-2.33,.19,;-4.64,1.52,;-5.55,2.77,;-7.01,2.29,;-8.47,2.77,;-9.24,4.1,;-9.38,1.52,;-8.47,.27,;-8.87,-1.21,;-10.36,-1.61,;-10.76,-3.1,;-9.67,-4.19,;-8.18,-3.79,;-7.78,-2.3,;-7.01,.75,;-5.55,.27,;9.22,1.52,;10.76,1.52,;8.45,.19,)|
Show InChI InChI=1S/C27H41N5O2S/c1-18-24-17-25(35-27(24)32(29-18)23-7-5-4-6-8-23)26(34)28-20-9-11-22(12-10-20)31-15-13-21(14-16-31)30(3)19(2)33/h17,20-23H,4-16H2,1-3H3,(H,28,34)/t20-,22-
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Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140108
PNG
(US8901315, 203)
Show SMILES CN1CC(=O)N(C1=O)c1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cc1
Show InChI InChI=1S/C23H25N5O3S/c1-14-18-12-19(32-22(18)28(25-14)17-6-4-3-5-7-17)21(30)24-15-8-10-16(11-9-15)27-20(29)13-26(2)23(27)31/h8-12,17H,3-7,13H2,1-2H3,(H,24,30)
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Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140176
PNG
(US8901315, 395)
Show SMILES CC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)NC(=O)c1cc2c(C)nn(C3CCOCC3)c2s1 |r,wU:12.16,wD:9.9,(9.99,4.19,;9.22,2.85,;9.99,1.52,;7.68,2.85,;6.91,4.19,;5.37,4.19,;4.6,2.85,;5.37,1.52,;6.91,1.52,;3.06,2.85,;2.29,4.19,;.75,4.19,;-.02,2.85,;.75,1.52,;2.29,1.52,;-1.56,2.85,;-2.33,1.52,;-1.56,.19,;-3.87,1.52,;-4.78,2.77,;-6.24,2.29,;-7.7,2.77,;-8.47,4.1,;-8.61,1.52,;-7.7,.27,;-8.1,-1.21,;-9.59,-1.61,;-9.99,-3.1,;-8.9,-4.19,;-7.41,-3.79,;-7.01,-2.3,;-6.24,.75,;-4.78,.27,)|
Show InChI InChI=1S/C24H35N5O3S/c1-16-21-15-22(33-24(21)29(26-16)20-7-13-32-14-8-20)23(31)25-18-3-5-19(6-4-18)28-11-9-27(10-12-28)17(2)30/h15,18-20H,3-14H2,1-2H3,(H,25,31)/t18-,19-
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Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140126
PNG
(US8901315, 247)
Show SMILES Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)NC1CC[C@H](CN2C(=O)CNC2=O)CC1 |r,wD:21.24,(-7.32,4.1,;-6.55,2.77,;-7.46,1.52,;-6.55,.27,;-6.95,-1.21,;-8.44,-1.61,;-8.83,-3.1,;-7.75,-4.19,;-6.26,-3.79,;-5.86,-2.3,;-5.09,.75,;-3.62,.27,;-2.72,1.52,;-3.62,2.77,;-5.09,2.29,;-1.18,1.52,;-.41,.19,;-.41,2.85,;1.13,2.85,;1.9,4.19,;3.44,4.19,;4.21,2.85,;5.75,2.85,;6.52,1.52,;6.05,.06,;4.72,-.71,;7.29,-.85,;8.54,.06,;8.06,1.52,;8.83,2.85,;3.44,1.52,;1.9,1.52,)|
Show InChI InChI=1S/C23H31N5O3S/c1-14-18-11-19(32-22(18)28(26-14)17-5-3-2-4-6-17)21(30)25-16-9-7-15(8-10-16)13-27-20(29)12-24-23(27)31/h11,15-17H,2-10,12-13H2,1H3,(H,24,31)(H,25,30)/t15-,16?
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Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140089
PNG
(US8901315, 168)
Show SMILES COC1CCN(CC1)[C@H]1CC[C@@H](CC1)NC(=O)c1cc2c(C)nn(C3CCCCC3)c2s1 |r,wU:11.15,wD:8.8,(9.99,4.19,;9.22,2.85,;7.68,2.85,;6.91,1.52,;5.37,1.52,;4.6,2.85,;5.37,4.19,;6.91,4.19,;3.06,2.85,;2.29,4.19,;.75,4.19,;-.02,2.85,;.75,1.52,;2.29,1.52,;-1.56,2.85,;-2.33,1.52,;-1.56,.19,;-3.87,1.52,;-4.78,2.77,;-6.24,2.29,;-7.7,2.77,;-8.47,4.1,;-8.61,1.52,;-7.7,.27,;-8.1,-1.21,;-9.59,-1.61,;-9.99,-3.1,;-8.9,-4.19,;-7.41,-3.79,;-7.01,-2.3,;-6.24,.75,;-4.78,.27,)|
Show InChI InChI=1S/C25H38N4O2S/c1-17-22-16-23(32-25(22)29(27-17)20-6-4-3-5-7-20)24(30)26-18-8-10-19(11-9-18)28-14-12-21(31-2)13-15-28/h16,18-21H,3-15H2,1-2H3,(H,26,30)/t18-,19-
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Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140081
PNG
(US8901315, 155)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cc1F
Show InChI InChI=1S/C24H30FN5OS/c1-16-19-15-22(32-24(19)30(27-16)18-6-4-3-5-7-18)23(31)26-17-8-9-21(20(25)14-17)29-12-10-28(2)11-13-29/h8-9,14-15,18H,3-7,10-13H2,1-2H3,(H,26,31)
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Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140172
PNG
(US8901315, 380)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cn1
Show InChI InChI=1S/C24H30N6O2S/c1-16-19-14-21(33-24(19)30(27-16)18-6-4-3-5-7-18)22(31)26-17-8-9-20(25-15-17)23(32)29-12-10-28(2)11-13-29/h8-9,14-15,18H,3-7,10-13H2,1-2H3,(H,26,31)
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Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140062
PNG
(US8901315, 104)
Show SMILES CNC(=O)c1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cn1
Show InChI InChI=1S/C20H23N5O2S/c1-12-15-10-17(28-20(15)25(24-12)14-6-4-3-5-7-14)19(27)23-13-8-9-16(22-11-13)18(26)21-2/h8-11,14H,3-7H2,1-2H3,(H,21,26)(H,23,27)
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Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140069
PNG
(US8901315, 114 | US8901315, 367 | US8901315, 368)
Show SMILES Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)Nc1ccc(cc1)N1CCC(O)CC1
Show InChI InChI=1S/C24H30N4O2S/c1-16-21-15-22(31-24(21)28(26-16)19-5-3-2-4-6-19)23(30)25-17-7-9-18(10-8-17)27-13-11-20(29)12-14-27/h7-10,15,19-20,29H,2-6,11-14H2,1H3,(H,25,30)
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Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140070
PNG
(US8901315, 115)
Show SMILES COc1cc(NC(=O)c2cc3c(C)nn(C4CCCCCC4)c3s2)ccc1NC(C)=O
Show InChI InChI=1S/C23H28N4O3S/c1-14-18-13-21(31-23(18)27(26-14)17-8-6-4-5-7-9-17)22(29)25-16-10-11-19(24-15(2)28)20(12-16)30-3/h10-13,17H,4-9H2,1-3H3,(H,24,28)(H,25,29)
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Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140140
PNG
(US8901315, 273)
Show SMILES Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)N[C@H]1CC[C@@H](CC1)N1C(=O)CCC1=O |r,wU:18.20,wD:21.27,(-6.96,3.48,;-6.19,2.14,;-7.1,.9,;-6.19,-.35,;-6.59,-1.84,;-8.08,-2.23,;-8.48,-3.72,;-7.39,-4.81,;-5.9,-4.41,;-5.5,-2.92,;-4.73,.13,;-3.27,-.35,;-2.36,.9,;-3.27,2.14,;-4.73,1.67,;-.82,.9,;-.05,-.44,;-.05,2.23,;1.49,2.23,;2.26,3.56,;3.8,3.56,;4.57,2.23,;3.8,.9,;2.26,.9,;6.11,2.23,;7.01,.99,;6.24,-.35,;8.48,1.46,;8.48,3,;7.01,3.48,;6.24,4.81,)|
Show InChI InChI=1S/C23H30N4O3S/c1-14-18-13-19(31-23(18)27(25-14)17-5-3-2-4-6-17)22(30)24-15-7-9-16(10-8-15)26-20(28)11-12-21(26)29/h13,15-17H,2-12H2,1H3,(H,24,30)/t15-,16-
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Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140094
PNG
(US8901315, 177)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)[C@H]1CC[C@@H](CC1)NC(=O)c1cc2c(C)nn(C3CCCCC3)c2s1 |r,wU:11.15,5.5,1.0,wD:8.8,(8.83,-.48,;8.06,.85,;6.52,.85,;5.75,2.19,;6.52,3.52,;8.06,3.52,;8.83,4.85,;8.83,2.19,;4.21,2.19,;3.44,3.52,;1.9,3.52,;1.13,2.19,;1.9,.85,;3.44,.85,;-.41,2.19,;-1.18,.85,;-.41,-.48,;-2.72,.85,;-3.62,2.1,;-5.09,1.62,;-6.55,2.1,;-7.32,3.43,;-7.46,.85,;-6.55,-.39,;-6.95,-1.88,;-8.44,-2.28,;-8.83,-3.77,;-7.75,-4.85,;-6.26,-4.46,;-5.86,-2.97,;-5.09,.08,;-3.62,-.39,)|
Show InChI InChI=1S/C25H38N4O2S/c1-16-14-28(15-17(2)31-16)20-11-9-19(10-12-20)26-24(30)23-13-22-18(3)27-29(25(22)32-23)21-7-5-4-6-8-21/h13,16-17,19-21H,4-12,14-15H2,1-3H3,(H,26,30)/t16-,17+,19-,20-
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Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140083
PNG
(US8901315, 159 | US8901315, 365 | US8901315, 366)
Show SMILES Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)Nc1ccc(N2CCC(O)CC2)c(F)c1
Show InChI InChI=1S/C24H29FN4O2S/c1-15-19-14-22(32-24(19)29(27-15)17-5-3-2-4-6-17)23(31)26-16-7-8-21(20(25)13-16)28-11-9-18(30)10-12-28/h7-8,13-14,17-18,30H,2-6,9-12H2,1H3,(H,26,31)
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Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140075
PNG
(US8901315, 141)
Show SMILES Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)Nc1ccc(cc1)C1CCNCC1
Show InChI InChI=1S/C24H30N4OS/c1-16-21-15-22(30-24(21)28(27-16)20-5-3-2-4-6-20)23(29)26-19-9-7-17(8-10-19)18-11-13-25-14-12-18/h7-10,15,18,20,25H,2-6,11-14H2,1H3,(H,26,29)
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Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140100
PNG
(US8901315, 190)
Show SMILES CC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)NC(=O)c1cc2c(C)nn(C3CCCCC3)c2s1 |r,wU:12.16,wD:9.9,(9.99,1.52,;9.22,2.85,;9.99,4.19,;7.68,2.85,;6.91,1.52,;5.37,1.52,;4.6,2.85,;5.37,4.19,;6.91,4.19,;3.06,2.85,;2.29,4.19,;.75,4.19,;-.02,2.85,;.75,1.52,;2.29,1.52,;-1.56,2.85,;-2.33,1.52,;-1.56,.19,;-3.87,1.52,;-4.78,2.77,;-6.24,2.29,;-7.7,2.77,;-8.47,4.1,;-8.61,1.52,;-7.7,.27,;-8.1,-1.21,;-9.59,-1.61,;-9.99,-3.1,;-8.9,-4.19,;-7.41,-3.79,;-7.01,-2.3,;-6.24,.75,;-4.78,.27,)|
Show InChI InChI=1S/C25H37N5O2S/c1-17-22-16-23(33-25(22)30(27-17)21-6-4-3-5-7-21)24(32)26-19-8-10-20(11-9-19)29-14-12-28(13-15-29)18(2)31/h16,19-21H,3-15H2,1-2H3,(H,26,32)/t19-,20-
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Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140091
PNG
(US8901315, 171)
Show SMILES CC(=O)N1CCCN(CC1)[C@H]1CC[C@@H](CC1)NC(=O)c1cc2c(C)nn(C3CCCCC3)c2s1 |r,wU:13.17,wD:10.10,(10.32,1.89,;8.98,1.12,;8.98,-.42,;7.65,1.89,;7.65,3.43,;6.44,4.39,;4.94,4.04,;4.27,2.66,;4.94,1.27,;6.44,.93,;2.73,2.66,;1.96,3.99,;.42,3.99,;-.35,2.66,;.42,1.32,;1.96,1.32,;-1.89,2.66,;-2.66,1.32,;-1.89,-.01,;-4.2,1.32,;-5.1,2.57,;-6.57,2.09,;-8.03,2.57,;-8.8,3.9,;-8.94,1.32,;-8.03,.08,;-8.43,-1.41,;-9.92,-1.81,;-10.32,-3.3,;-9.23,-4.39,;-7.74,-3.99,;-7.34,-2.5,;-6.57,.55,;-5.1,.08,)|
Show InChI InChI=1S/C26H39N5O2S/c1-18-23-17-24(34-26(23)31(28-18)22-7-4-3-5-8-22)25(33)27-20-9-11-21(12-10-20)30-14-6-13-29(15-16-30)19(2)32/h17,20-22H,3-16H2,1-2H3,(H,27,33)/t20-,21-
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Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140093
PNG
(US8901315, 176)
Show SMILES Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)N[C@H]1CC[C@@H](CC1)N1CCC(O)CC1 |r,wU:18.20,wD:21.27,(-8.09,4.1,;-7.32,2.77,;-8.23,1.52,;-7.32,.27,;-7.72,-1.21,;-9.21,-1.61,;-9.6,-3.1,;-8.52,-4.19,;-7.03,-3.79,;-6.63,-2.3,;-5.86,.75,;-4.39,.27,;-3.49,1.52,;-4.39,2.77,;-5.86,2.29,;-1.95,1.52,;-1.18,.19,;-1.18,2.85,;.36,2.85,;1.13,4.19,;2.67,4.19,;3.44,2.85,;2.67,1.52,;1.13,1.52,;4.98,2.85,;5.75,1.52,;7.29,1.52,;8.06,2.85,;9.6,2.85,;7.29,4.19,;5.75,4.19,)|
Show InChI InChI=1S/C24H36N4O2S/c1-16-21-15-22(31-24(21)28(26-16)19-5-3-2-4-6-19)23(30)25-17-7-9-18(10-8-17)27-13-11-20(29)12-14-27/h15,17-20,29H,2-14H2,1H3,(H,25,30)/t17-,18-
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Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140141
PNG
(US8901315, 274)
Show SMILES Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)N[C@H]1CC[C@@H](CC1)N1CCCS1(=O)=O |r,wU:18.20,wD:21.27,(-6.96,4.1,;-6.19,2.77,;-7.1,1.52,;-6.19,.27,;-6.59,-1.21,;-8.08,-1.61,;-8.48,-3.1,;-7.39,-4.19,;-5.9,-3.79,;-5.5,-2.3,;-4.73,.75,;-3.27,.27,;-2.36,1.52,;-3.27,2.77,;-4.73,2.29,;-.82,1.52,;-.05,.19,;-.05,2.85,;1.49,2.85,;2.26,4.19,;3.8,4.19,;4.57,2.85,;3.8,1.52,;2.26,1.52,;6.11,2.85,;7.01,4.1,;8.48,3.62,;8.48,2.08,;7.01,1.61,;6.24,.27,;7.78,.27,)|
Show InChI InChI=1S/C22H32N4O3S2/c1-15-19-14-20(30-22(19)26(24-15)18-6-3-2-4-7-18)21(27)23-16-8-10-17(11-9-16)25-12-5-13-31(25,28)29/h14,16-18H,2-13H2,1H3,(H,23,27)/t16-,17-
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Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140022
PNG
(US8901315, 10)
Show SMILES COc1cc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)ccc1NC(C)=O
Show InChI InChI=1S/C22H26N4O3S/c1-13-17-12-20(30-22(17)26(25-13)16-7-5-4-6-8-16)21(28)24-15-9-10-18(23-14(2)27)19(11-15)29-3/h9-12,16H,4-8H2,1-3H3,(H,23,27)(H,24,28)
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Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140073
PNG
(US8901315, 133)
Show SMILES Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)NC1CC[C@@H](CC1)N1CCOCC1 |r,wD:21.27,(-7.32,4.1,;-6.55,2.77,;-7.46,1.52,;-6.55,.27,;-6.95,-1.21,;-8.44,-1.61,;-8.83,-3.1,;-7.75,-4.19,;-6.26,-3.79,;-5.86,-2.3,;-5.09,.75,;-3.62,.27,;-2.72,1.52,;-3.62,2.77,;-5.09,2.29,;-1.18,1.52,;-.41,.19,;-.41,2.85,;1.13,2.85,;1.9,4.19,;3.44,4.19,;4.21,2.85,;3.44,1.52,;1.9,1.52,;5.75,2.85,;6.52,1.52,;8.06,1.52,;8.83,2.85,;8.06,4.19,;6.52,4.19,)|
Show InChI InChI=1S/C23H34N4O2S/c1-16-20-15-21(30-23(20)27(25-16)19-5-3-2-4-6-19)22(28)24-17-7-9-18(10-8-17)26-11-13-29-14-12-26/h15,17-19H,2-14H2,1H3,(H,24,28)/t17?,18-
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n/an/a 1.80E+3n/an/an/an/a6.54



Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140155
PNG
(US8901315, 341)
Show SMILES Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)Nc1ccc(cc1)N1CCNC(=O)C1
Show InChI InChI=1S/C23H27N5O2S/c1-15-19-13-20(31-23(19)28(26-15)18-5-3-2-4-6-18)22(30)25-16-7-9-17(10-8-16)27-12-11-24-21(29)14-27/h7-10,13,18H,2-6,11-12,14H2,1H3,(H,24,29)(H,25,30)
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Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140138
PNG
(US8901315, 270)
Show SMILES Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)N[C@H]1CC[C@@H](CC1)N1CCOC1=O |r,wU:18.20,wD:21.27,(-6.96,4.1,;-6.19,2.77,;-7.1,1.52,;-6.19,.27,;-6.59,-1.21,;-8.08,-1.61,;-8.48,-3.1,;-7.39,-4.19,;-5.9,-3.79,;-5.5,-2.3,;-4.73,.75,;-3.27,.27,;-2.36,1.52,;-3.27,2.77,;-4.73,2.29,;-.82,1.52,;-.05,.19,;-.05,2.85,;1.49,2.85,;2.26,4.19,;3.8,4.19,;4.57,2.85,;3.8,1.52,;2.26,1.52,;6.11,2.85,;7.01,4.1,;8.48,3.62,;8.48,2.08,;7.01,1.61,;6.24,.27,)|
Show InChI InChI=1S/C22H30N4O3S/c1-14-18-13-19(30-21(18)26(24-14)17-5-3-2-4-6-17)20(27)23-15-7-9-16(10-8-15)25-11-12-29-22(25)28/h13,15-17H,2-12H2,1H3,(H,23,27)/t15-,16-
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Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140105
PNG
(US8901315, 200)
Show SMILES CN(C)CCc1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cc1
Show InChI InChI=1S/C23H30N4OS/c1-16-20-15-21(29-23(20)27(25-16)19-7-5-4-6-8-19)22(28)24-18-11-9-17(10-12-18)13-14-26(2)3/h9-12,15,19H,4-8,13-14H2,1-3H3,(H,24,28)
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Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140132
PNG
(US8901315, 261)
Show SMILES Cc1nn(C2CCOCC2)c2sc(cc12)C(=O)Nc1ccc(nc1)N1CCNC1=O
Show InChI InChI=1S/C20H22N6O3S/c1-12-15-10-16(30-19(15)26(24-12)14-4-8-29-9-5-14)18(27)23-13-2-3-17(22-11-13)25-7-6-21-20(25)28/h2-3,10-11,14H,4-9H2,1H3,(H,21,28)(H,23,27)
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Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Mus musculus (Mouse))
BDBM140144
PNG
(US8901315, 280)
Show SMILES CN1CCN([C@H]2CC[C@@H](CC2)NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)C1=O |r,wU:8.11,wD:5.4,(9.15,1.31,;7.81,2.08,;7.81,3.62,;6.35,4.1,;5.44,2.85,;3.9,2.85,;3.13,4.19,;1.59,4.19,;.82,2.85,;1.59,1.52,;3.13,1.52,;-.72,2.85,;-1.49,1.52,;-.72,.19,;-3.03,1.52,;-3.93,2.77,;-5.4,2.29,;-6.86,2.77,;-7.63,4.1,;-7.77,1.52,;-6.86,.27,;-7.26,-1.21,;-8.75,-1.61,;-9.15,-3.1,;-8.06,-4.19,;-6.57,-3.79,;-6.17,-2.3,;-5.4,.75,;-3.93,.27,;6.35,1.61,;5.58,.27,)|
Show InChI InChI=1S/C23H33N5O2S/c1-15-19-14-20(31-22(19)28(25-15)18-6-4-3-5-7-18)21(29)24-16-8-10-17(11-9-16)27-13-12-26(2)23(27)30/h14,16-18H,3-13H2,1-2H3,(H,24,29)/t16-,17-
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Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)

More data for this
Ligand-Target Pair
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