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Compile Data Set for Download or QSAR

Found 304 hits with Last Name = 'schaffter' and Initial = 'e'   
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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221109
PNG
(US9303012, 35)
Show SMILES CC(C)(C)N(CC(N)=O)C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C19H26F2N4O3/c1-18(2,3)25(8-15(22)26)17(27)13-6-7-14(24-10-19(20,21)11-24)16(23-13)28-9-12-4-5-12/h6-7,12H,4-5,8-11H2,1-3H3,(H2,22,26)
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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221110
PNG
(US9303012, 36)
Show SMILES Cc1nnc(CN(C(=O)c2ccc(N3CC(F)(F)C3)c(OCC3CC3)n2)C(C)(C)C)o1
Show InChI InChI=1S/C21H27F2N5O3/c1-13-25-26-17(31-13)9-28(20(2,3)4)19(29)15-7-8-16(27-11-21(22,23)12-27)18(24-15)30-10-14-5-6-14/h7-8,14H,5-6,9-12H2,1-4H3
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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221111
PNG
(US9303012, 37)
Show SMILES CC1(O)CCN(C1)C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1/C18H23F2N3O3/c1-17(25)6-7-22(9-17)16(24)13-4-5-14(23-10-18(19,20)11-23)15(21-13)26-8-12-2-3-12/h4-5,12,25H,2-3,6-11H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221112
PNG
(US9303012, 38)
Show SMILES FC1(F)CN(C1)c1ccc(nc1OCC1CC1)C(=O)N1CCCC11COC1
Show InChI InChI=1S/C19H23F2N3O3/c20-19(21)9-23(10-19)15-5-4-14(22-16(15)27-8-13-2-3-13)17(25)24-7-1-6-18(24)11-26-12-18/h4-5,13H,1-3,6-12H2
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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221113
PNG
(US9303012, 39)
Show SMILES CCN(CCOC)C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C18H25F2N3O3/c1-3-22(8-9-25-2)17(24)14-6-7-15(23-11-18(19,20)12-23)16(21-14)26-10-13-4-5-13/h6-7,13H,3-5,8-12H2,1-2H3
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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221114
PNG
(US9303012, 40)
Show SMILES Cn1nnnc1CN(C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(C)(C)C
Show InChI InChI=1S/C20H27F2N7O2/c1-19(2,3)29(9-16-24-25-26-27(16)4)18(30)14-7-8-15(28-11-20(21,22)12-28)17(23-14)31-10-13-5-6-13/h7-8,13H,5-6,9-12H2,1-4H3
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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221115
PNG
(US9303012, 41)
Show SMILES CC(=O)NC1CCN(C1)C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1/C19H24F2N4O3/c1-12(26)22-14-6-7-24(8-14)18(27)15-4-5-16(25-10-19(20,21)11-25)17(23-15)28-9-13-2-3-13/h4-5,13-14H,2-3,6-11H2,1H3,(H,22,26)
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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221116
PNG
(US9303012, 42)
Show SMILES CC1(C)CCN(CC1)C(=O)c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1
Show InChI InChI=1S/C23H27FN2O/c1-23(2)11-13-26(14-12-23)22(27)20-10-9-19(17-5-6-17)21(25-20)15-16-3-7-18(24)8-4-16/h3-4,7-10,17H,5-6,11-15H2,1-2H3
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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221117
PNG
(US9303012, 43)
Show SMILES CC1(C)CCN(CC1)C(=O)c1ccc(C2CC2)c(OCC2CCCO2)n1
Show InChI InChI=1/C21H30N2O3/c1-21(2)9-11-23(12-10-21)20(24)18-8-7-17(15-5-6-15)19(22-18)26-14-16-4-3-13-25-16/h7-8,15-16H,3-6,9-14H2,1-2H3
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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221118
PNG
(US9303012, 44)
Show SMILES CC1(C)COCN1C(=O)c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1
Show InChI InChI=1S/C21H23FN2O2/c1-21(2)12-26-13-24(21)20(25)18-10-9-17(15-5-6-15)19(23-18)11-14-3-7-16(22)8-4-14/h3-4,7-10,15H,5-6,11-13H2,1-2H3
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n/an/an/an/a 408n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221119
PNG
(US9303012, 45)
Show SMILES C[C@@]12C[C@@H](CC(C)(C)C1)N(C2)C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1 |r,TLB:11:9:2:8.4.5|
Show InChI InChI=1/C23H31F2N3O2/c1-21(2)8-16-9-22(3,11-21)12-28(16)20(29)17-6-7-18(27-13-23(24,25)14-27)19(26-17)30-10-15-4-5-15/h6-7,15-16H,4-5,8-14H2,1-3H3/t16-,22-/s2
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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221120
PNG
(US9303012, 46)
Show SMILES COC[C@H]1CCCN1C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1 |r|
Show InChI InChI=1/C19H25F2N3O3/c1-26-10-14-3-2-8-24(14)18(25)15-6-7-16(23-11-19(20,21)12-23)17(22-15)27-9-13-4-5-13/h6-7,13-14H,2-5,8-12H2,1H3/t14-/s2
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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221121
PNG
(US9303012, 47)
Show SMILES CC1(C)CCCN1C(=O)c1ccc(OCC2CC2)c(Cl)n1
Show InChI InChI=1S/C16H21ClN2O2/c1-16(2)8-3-9-19(16)15(20)12-6-7-13(14(17)18-12)21-10-11-4-5-11/h6-7,11H,3-5,8-10H2,1-2H3
PDB

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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221122
PNG
(US9303012, 48)
Show SMILES CC1(C)COCN1C(=O)c1ccc(OC(F)(F)F)c(OCC2CC2)n1
Show InChI InChI=1S/C16H19F3N2O4/c1-15(2)8-23-9-21(15)14(22)11-5-6-12(25-16(17,18)19)13(20-11)24-7-10-3-4-10/h5-6,10H,3-4,7-9H2,1-2H3
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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221123
PNG
(US9303012, 49)
Show SMILES CC1(C)COCN1C(=O)c1ccc(OCC2CC2)c(Cl)n1
Show InChI InChI=1S/C15H19ClN2O3/c1-15(2)8-20-9-18(15)14(19)11-5-6-12(13(16)17-11)21-7-10-3-4-10/h5-6,10H,3-4,7-9H2,1-2H3
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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221124
PNG
(US9303012, 50)
Show SMILES CC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C23H30F2N4O3/c1-15(30)27-10-8-18(9-11-27)29(17-4-5-17)22(31)19-6-7-20(28-13-23(24,25)14-28)21(26-19)32-12-16-2-3-16/h6-7,16-18H,2-5,8-14H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221125
PNG
(US9303012, 51)
Show SMILES CN(C=O)C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C15H17F2N3O3/c1-19(9-21)14(22)11-4-5-12(20-7-15(16,17)8-20)13(18-11)23-6-10-2-3-10/h4-5,9-10H,2-3,6-8H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221126
PNG
(US9303012, 52)
Show SMILES CN(C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)c1ccccc1
Show InChI InChI=1S/C20H21F2N3O2/c1-24(15-5-3-2-4-6-15)19(26)16-9-10-17(25-12-20(21,22)13-25)18(23-16)27-11-14-7-8-14/h2-6,9-10,14H,7-8,11-13H2,1H3
PDB

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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221127
PNG
(US9303012, 53)
Show SMILES OC[C@@H]1CC(F)(F)CN1C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1 |r|
Show InChI InChI=1/C18H21F4N3O3/c19-17(20)5-12(6-26)25(10-17)16(27)13-3-4-14(24-8-18(21,22)9-24)15(23-13)28-7-11-1-2-11/h3-4,11-12,26H,1-2,5-10H2/t12-/s2
PDB

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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221128
PNG
(US9303012, 54)
Show SMILES CN(C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)c1nn(C)cc1C
Show InChI InChI=1S/C19H23F2N5O2/c1-12-8-24(2)23-16(12)25(3)18(27)14-6-7-15(26-10-19(20,21)11-26)17(22-14)28-9-13-4-5-13/h6-8,13H,4-5,9-11H2,1-3H3
PDB

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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221129
PNG
(US9303012, 55)
Show SMILES CC1(C)CN(CCO1)C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C19H25F2N3O3/c1-18(2)10-23(7-8-27-18)17(25)14-5-6-15(24-11-19(20,21)12-24)16(22-14)26-9-13-3-4-13/h5-6,13H,3-4,7-12H2,1-2H3
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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221130
PNG
(US9303012, 56)
Show SMILES CN1[C@H](N(CC1=O)C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(C)(C)C |r|
Show InChI InChI=1/C21H28F2N4O3/c1-20(2,3)19-25(4)16(28)9-27(19)18(29)14-7-8-15(26-11-21(22,23)12-26)17(24-14)30-10-13-5-6-13/h7-8,13,19H,5-6,9-12H2,1-4H3/t19-/s2
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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221131
PNG
(US9303012, 57)
Show SMILES FC1(F)CN(C1)c1ccc(nc1OCC1CC1)C(=O)N1CCCC11CC1
Show InChI InChI=1S/C19H23F2N3O2/c20-19(21)11-23(12-19)15-5-4-14(22-16(15)26-10-13-2-3-13)17(25)24-9-1-6-18(24)7-8-18/h4-5,13H,1-3,6-12H2
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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221132
PNG
(US9303012, 58)
Show SMILES CC1(C)CC(C2CCN(CC2)C(=O)c2ccc(N3CC(F)(F)C3)c(OCC3CC3)n2)C(=O)N1
Show InChI InChI=1/C24H32F2N4O3/c1-23(2)11-17(20(31)28-23)16-7-9-29(10-8-16)22(32)18-5-6-19(30-13-24(25,26)14-30)21(27-18)33-12-15-3-4-15/h5-6,15-17H,3-4,7-14H2,1-2H3,(H,28,31)
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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221133
PNG
(US9303012, 59)
Show SMILES FC1(F)CN(C1)c1ccc(nc1OCC1CC1)C(=O)N1C[C@@H]2CC[C@H]1C2 |r,THB:17:19:22.23:25|
Show InChI InChI=1/C19H23F2N3O2/c20-19(21)10-23(11-19)16-6-5-15(22-17(16)26-9-12-1-2-12)18(25)24-8-13-3-4-14(24)7-13/h5-6,12-14H,1-4,7-11H2/t13-,14+/s2
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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221134
PNG
(US9303012, 60)
Show SMILES NC(=O)[C@@H]1CC(F)(F)CN1C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1 |r|
Show InChI InChI=1/C18H20F4N4O3/c19-17(20)5-13(14(23)27)26(9-17)16(28)11-3-4-12(25-7-18(21,22)8-25)15(24-11)29-6-10-1-2-10/h3-4,10,13H,1-2,5-9H2,(H2,23,27)/t13-/s2
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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221135
PNG
(US9303012, 61)
Show SMILES CC1(O)CCN(CC1)C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C19H25F2N3O3/c1-18(26)6-8-23(9-7-18)17(25)14-4-5-15(24-11-19(20,21)12-24)16(22-14)27-10-13-2-3-13/h4-5,13,26H,2-3,6-12H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221136
PNG
(US9303012, 62)
Show SMILES FC1(F)CN(C1)c1ccc(nc1OCC1CC1)C(=O)N1C[C@@H]2C[C@H]1CS2 |r,TLB:17:19:25.24:22|
Show InChI InChI=1/C18H21F2N3O2S/c19-18(20)9-22(10-18)15-4-3-14(21-16(15)25-7-11-1-2-11)17(24)23-6-13-5-12(23)8-26-13/h3-4,11-13H,1-2,5-10H2/t12-,13-/s2
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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221137
PNG
(US9303012, 63)
Show SMILES FC1(F)CN(C1)c1ccc(nc1OCC1CC1)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1 |r,TLB:17:19:25.24:22,26:25:20.19:22|
Show InChI InChI=1/C25H28F2N4O2/c26-25(27)15-30(16-25)22-9-8-21(28-23(22)33-14-18-6-7-18)24(32)31-13-19-10-20(31)12-29(19)11-17-4-2-1-3-5-17/h1-5,8-9,18-20H,6-7,10-16H2/t19-,20-/s2
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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221138
PNG
(US9303012, 64)
Show SMILES CC1C(CCCN1C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)c1ccccc1
Show InChI InChI=1/C25H29F2N3O2/c1-17-20(19-6-3-2-4-7-19)8-5-13-30(17)24(31)21-11-12-22(29-15-25(26,27)16-29)23(28-21)32-14-18-9-10-18/h2-4,6-7,11-12,17-18,20H,5,8-10,13-16H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221139
PNG
(US9303012, 65)
Show SMILES FC1(F)CN(C1)c1ccc(nc1OCC1CC1)C(=O)N1C[C@@H]2C[C@H]1CO2 |r,TLB:17:19:25.24:22|
Show InChI InChI=1/C18H21F2N3O3/c19-18(20)9-22(10-18)15-4-3-14(21-16(15)26-7-11-1-2-11)17(24)23-6-13-5-12(23)8-25-13/h3-4,11-13H,1-2,5-10H2/t12-,13-/s2
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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221140
PNG
(US9303012, 66)
Show SMILES CC1(C)CC(O)CCN1C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1/C20H27F2N3O3/c1-19(2)9-14(26)7-8-25(19)18(27)15-5-6-16(24-11-20(21,22)12-24)17(23-15)28-10-13-3-4-13/h5-6,13-14,26H,3-4,7-12H2,1-2H3
PDB

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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221141
PNG
(US9303012, 67)
Show SMILES CCOC(=O)C1CCCN(C1c1ccccc1)C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1/C27H31F2N3O4/c1-2-35-26(34)20-9-6-14-32(23(20)19-7-4-3-5-8-19)25(33)21-12-13-22(31-16-27(28,29)17-31)24(30-21)36-15-18-10-11-18/h3-5,7-8,12-13,18,20,23H,2,6,9-11,14-17H2,1H3
PDB

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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221142
PNG
(US9303012, 68)
Show SMILES NC(=O)[C@@H]1CC(F)(F)CN1C(=O)c1ccc(C2CC2)c(OCC2CC2)n1 |r|
Show InChI InChI=1/C18H21F2N3O3/c19-18(20)7-14(15(21)24)23(9-18)17(25)13-6-5-12(11-3-4-11)16(22-13)26-8-10-1-2-10/h5-6,10-11,14H,1-4,7-9H2,(H2,21,24)/t14-/s2
PDB

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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221143
PNG
(US9303012, 69)
Show SMILES NC(=O)[C@@H]1C[C@H](F)CN1C(=O)c1ccc(C2CC2)c(OCC2CC2)n1 |r|
Show InChI InChI=1/C18H22FN3O3/c19-12-7-15(16(20)23)22(8-12)18(24)14-6-5-13(11-3-4-11)17(21-14)25-9-10-1-2-10/h5-6,10-12,15H,1-4,7-9H2,(H2,20,23)/t12-,15-/s2
PDB

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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221144
PNG
(US9303012, 70)
Show SMILES FC1(F)CN(C1)c1ccc(nc1OCC1CC1)C(=O)N1CC2CCOC2C1
Show InChI InChI=1/C19H23F2N3O3/c20-19(21)10-24(11-19)15-4-3-14(22-17(15)27-9-12-1-2-12)18(25)23-7-13-5-6-26-16(13)8-23/h3-4,12-13,16H,1-2,5-11H2
PDB

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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221145
PNG
(US9303012, 71)
Show SMILES FC1(F)CN(C1)c1ccc(nc1OCC1CC1)C(=O)N1CC2(C1)CS(=O)(=O)C2
Show InChI InChI=1S/C18H21F2N3O4S/c19-18(20)8-22(9-18)14-4-3-13(21-15(14)27-5-12-1-2-12)16(24)23-6-17(7-23)10-28(25,26)11-17/h3-4,12H,1-2,5-11H2
PDB

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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221146
PNG
(US9303012, 72)
Show SMILES CC(C)(C)N(CCC(N)=O)C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C20H28F2N4O3/c1-19(2,3)26(9-8-16(23)27)18(28)14-6-7-15(25-11-20(21,22)12-25)17(24-14)29-10-13-4-5-13/h6-7,13H,4-5,8-12H2,1-3H3,(H2,23,27)
PDB

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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221147
PNG
(US9303012, 73)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)c1ccc(C2CC2)c(OCC2CC2)n1 |r|
Show InChI InChI=1/C18H23N3O3/c19-16(22)15-2-1-9-21(15)18(23)14-8-7-13(12-5-6-12)17(20-14)24-10-11-3-4-11/h7-8,11-12,15H,1-6,9-10H2,(H2,19,22)/t15-/s2
PDB

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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221148
PNG
(US9303012, 74)
Show SMILES CC(C)(C)OC(=O)N1CCC2(CCCN2C(=O)c2ccc(N3CC(F)(F)C3)c(OCC3CC3)n2)CC1
Show InChI InChI=1S/C26H36F2N4O4/c1-24(2,3)36-23(34)30-13-10-25(11-14-30)9-4-12-32(25)22(33)19-7-8-20(31-16-26(27,28)17-31)21(29-19)35-15-18-5-6-18/h7-8,18H,4-6,9-17H2,1-3H3
PDB

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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221149
PNG
(US9303012, 75)
Show SMILES NC(=O)[C@@H]1CC(F)(F)CN1C(=O)c1ccc(C2CC2)c(OCC2CCCO2)n1 |r|
Show InChI InChI=1/C19H23F2N3O4/c20-19(21)8-15(16(22)25)24(10-19)18(26)14-6-5-13(11-3-4-11)17(23-14)28-9-12-2-1-7-27-12/h5-6,11-12,15H,1-4,7-10H2,(H2,22,25)/t12?,15-/s2
PDB

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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221150
PNG
(US9303012, 76)
Show SMILES NC(=O)[C@@H]1CC(F)(F)CN1C(=O)c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1 |r|
Show InChI InChI=1/C21H20F3N3O2/c22-14-5-1-12(2-6-14)9-17-15(13-3-4-13)7-8-16(26-17)20(29)27-11-21(23,24)10-18(27)19(25)28/h1-2,5-8,13,18H,3-4,9-11H2,(H2,25,28)/t18-/s2
PDB

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n/an/an/an/a 167n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221151
PNG
(US9303012, 77)
Show SMILES CC1(C)C[C@@H](N(C1)C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(N)=O |r|
Show InChI InChI=1/C20H26F2N4O3/c1-19(2)7-15(16(23)27)26(9-19)18(28)13-5-6-14(25-10-20(21,22)11-25)17(24-13)29-8-12-3-4-12/h5-6,12,15H,3-4,7-11H2,1-2H3,(H2,23,27)/t15-/s2
PDB

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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221152
PNG
(US9303012, 78)
Show SMILES CC1(C)C[C@H](N(C1)C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(N)=O |r|
Show InChI InChI=1/C20H26F2N4O3/c1-19(2)7-15(16(23)27)26(9-19)18(28)13-5-6-14(25-10-20(21,22)11-25)17(24-13)29-8-12-3-4-12/h5-6,12,15H,3-4,7-11H2,1-2H3,(H2,23,27)/t15-/s2
PDB

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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221153
PNG
(US9303012, 79)
Show SMILES NC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1 |r|
Show InChI InChI=1/C18H22F2N4O4/c19-18(20)8-23(9-18)13-4-3-12(22-16(13)28-7-10-1-2-10)17(27)24-6-11(25)5-14(24)15(21)26/h3-4,10-11,14,25H,1-2,5-9H2,(H2,21,26)/t11-,14-/s2
PDB

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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221154
PNG
(US9303012, 80)
Show SMILES NC(=O)[C@@H]1C[C@H](F)CN1C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1 |r|
Show InChI InChI=1/C18H21F3N4O3/c19-11-5-14(15(22)26)25(6-11)17(27)12-3-4-13(24-8-18(20,21)9-24)16(23-12)28-7-10-1-2-10/h3-4,10-11,14H,1-2,5-9H2,(H2,22,26)/t11-,14-/s2
PDB

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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221155
PNG
(US9303012, 81)
Show SMILES Cc1nnc(CN(C2CC2)C(=O)c2ccc(N3CC(F)(F)C3)c(OCC3CC3)n2)o1
Show InChI InChI=1S/C20H23F2N5O3/c1-12-24-25-17(30-12)8-27(14-4-5-14)19(28)15-6-7-16(26-10-20(21,22)11-26)18(23-15)29-9-13-2-3-13/h6-7,13-14H,2-5,8-11H2,1H3
PDB

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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221156
PNG
(US9303012, 82)
Show SMILES OC1COC2(CCN(C2)C(=O)c2ccc(N3CC(F)(F)C3)c(OCC3CC3)n2)C1
Show InChI InChI=1/C20H25F2N3O4/c21-20(22)11-25(12-20)16-4-3-15(23-17(16)28-8-13-1-2-13)18(27)24-6-5-19(10-24)7-14(26)9-29-19/h3-4,13-14,26H,1-2,5-12H2
PDB

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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221157
PNG
(US9303012, 83)
Show SMILES OC1COC2(CN(C2)C(=O)c2ccc(N3CC(F)(F)C3)c(OCC3CC3)n2)C1
Show InChI InChI=1/C19H23F2N3O4/c20-19(21)10-23(11-19)15-4-3-14(22-16(15)27-6-12-1-2-12)17(26)24-8-18(9-24)5-13(25)7-28-18/h3-4,12-13,25H,1-2,5-11H2
PDB

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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221158
PNG
(US9303012, 84)
Show SMILES CC1(C)CCCN1C(=O)c1ccc(C2CC2)c(OCC(F)(F)C(F)(F)F)n1
Show InChI InChI=1S/C18H21F5N2O2/c1-16(2)8-3-9-25(16)15(26)13-7-6-12(11-4-5-11)14(24-13)27-10-17(19,20)18(21,22)23/h6-7,11H,3-5,8-10H2,1-2H3
PDB

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n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
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