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Compile Data Set for Download or QSAR

Found 620 hits with Last Name = 'westphal' and Initial = 'm'   
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 2


(Homo sapiens (Human))
BDBM240286
PNG
(US9409866, 1)
Show SMILES COC(=O)C(C)(C)NC(=O)c1cc(I)c(Cl)cn1
Show InChI InChI=1S/C11H12ClIN2O3/c1-11(2,10(17)18-3)15-9(16)8-4-7(13)6(12)5-14-8/h4-5H,1-3H3,(H,15,16)
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n/an/an/an/a 35.6n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240287
PNG
(US9409866, 2)
Show SMILES CC(C)(CO)NC(=O)c1cc(c(Cl)cn1)-c1cccc(Cl)c1
Show InChI InChI=1S/C16H16Cl2N2O2/c1-16(2,9-21)20-15(22)14-7-12(13(18)8-19-14)10-4-3-5-11(17)6-10/h3-8,21H,9H2,1-2H3,(H,20,22)
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n/an/an/an/a 96.3n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240288
PNG
(US9409866, 3)
Show SMILES CC(C)C[C@H](NC(=O)c1cc(c(Cl)cn1)-c1cccc(Cl)c1)C(N)=O |r|
Show InChI InChI=1/C18H19Cl2N3O2/c1-10(2)6-15(17(21)24)23-18(25)16-8-13(14(20)9-22-16)11-4-3-5-12(19)7-11/h3-5,7-10,15H,6H2,1-2H3,(H2,21,24)(H,23,25)/t15-/s2
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n/an/an/an/a 466n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240289
PNG
(US9409866, 4)
Show SMILES NC(=O)[C@H](CC1CC1)NC(=O)c1cc(OCC2CC2)c(Cl)cn1 |r|
Show InChI InChI=1/C16H20ClN3O3/c17-11-7-19-13(6-14(11)23-8-10-3-4-10)16(22)20-12(15(18)21)5-9-1-2-9/h6-7,9-10,12H,1-5,8H2,(H2,18,21)(H,20,22)/t12-/s2
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n/an/an/an/a 115n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240290
PNG
(US9409866, 5)
Show SMILES OC1(CNC(=O)c2cc(OCC3CC3)c(Cl)cn2)CCCCC1
Show InChI InChI=1S/C17H23ClN2O3/c18-13-9-19-14(8-15(13)23-10-12-4-5-12)16(21)20-11-17(22)6-2-1-3-7-17/h8-9,12,22H,1-7,10-11H2,(H,20,21)
PDB

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n/an/an/an/a 107n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240291
PNG
(US9409866, 6)
Show SMILES OCC1(CCCC1)NC(=O)c1cc(OCC2CC2)c(Cl)cn1
Show InChI InChI=1S/C16H21ClN2O3/c17-12-8-18-13(7-14(12)22-9-11-3-4-11)15(21)19-16(10-20)5-1-2-6-16/h7-8,11,20H,1-6,9-10H2,(H,19,21)
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n/an/an/an/a 52.4n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240292
PNG
(US9409866, 7)
Show SMILES CC(C)C[C@@H](CO)NC(=O)c1cc(OCC2CC2)c(Cl)cn1 |r|
Show InChI InChI=1/C16H23ClN2O3/c1-10(2)5-12(8-20)19-16(21)14-6-15(13(17)7-18-14)22-9-11-3-4-11/h6-7,10-12,20H,3-5,8-9H2,1-2H3,(H,19,21)/t12-/s2
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n/an/an/an/a 52.3n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240293
PNG
(US9409866, 8)
Show SMILES CC(C)(NC(=O)c1cc(OCC2CC2)c(Cl)cn1)C#N
Show InChI InChI=1S/C14H16ClN3O2/c1-14(2,8-16)18-13(19)11-5-12(10(15)6-17-11)20-7-9-3-4-9/h5-6,9H,3-4,7H2,1-2H3,(H,18,19)
PDB

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n/an/an/an/a 159n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240294
PNG
(US9409866, 9)
Show SMILES CC(C)C[C@H](NC(=O)c1cc(OCC2CC2)c(Br)cn1)C(N)=O |r|
Show InChI InChI=1/C16H22BrN3O3/c1-9(2)5-12(15(18)21)20-16(22)13-6-14(11(17)7-19-13)23-8-10-3-4-10/h6-7,9-10,12H,3-5,8H2,1-2H3,(H2,18,21)(H,20,22)/t12-/s2
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n/an/an/an/a 32.9n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240295
PNG
(US9409866, 10)
Show SMILES CC(C)[C@@](C)(CO)NC(=O)c1cc(OCC2CC2)c(Cl)cn1 |r|
Show InChI InChI=1/C16H23ClN2O3/c1-10(2)16(3,9-20)19-15(21)13-6-14(12(17)7-18-13)22-8-11-4-5-11/h6-7,10-11,20H,4-5,8-9H2,1-3H3,(H,19,21)/t16-/s2
PDB

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n/an/an/an/a 11.9n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240296
PNG
(US9409866, 11)
Show SMILES CC(C)[C@H](CO)NC(=O)c1cc(OCC2CC2)c(Cl)cn1 |r|
Show InChI InChI=1/C15H21ClN2O3/c1-9(2)13(7-19)18-15(20)12-5-14(11(16)6-17-12)21-8-10-3-4-10/h5-6,9-10,13,19H,3-4,7-8H2,1-2H3,(H,18,20)/t13-/s2
PDB

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n/an/an/an/a 55.4n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240297
PNG
(US9409866, 12)
Show SMILES CC(C)[C@](C)(CO)NC(=O)c1cc(OCC2CCC2)c(Cl)cn1 |r|
Show InChI InChI=1/C17H25ClN2O3/c1-11(2)17(3,10-21)20-16(22)14-7-15(13(18)8-19-14)23-9-12-5-4-6-12/h7-8,11-12,21H,4-6,9-10H2,1-3H3,(H,20,22)/t17-/s2
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n/an/an/an/a 9.20n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240298
PNG
(US9409866, 13)
Show SMILES CCC[C@H](CO)NC(=O)c1cc(OCC2CC2)c(Cl)cn1 |r|
Show InChI InChI=1/C15H21ClN2O3/c1-2-3-11(8-19)18-15(20)13-6-14(12(16)7-17-13)21-9-10-4-5-10/h6-7,10-11,19H,2-5,8-9H2,1H3,(H,18,20)/t11-/s2
PDB

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n/an/an/an/a 146n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240299
PNG
(US9409866, 14)
Show SMILES CC(C)[C@](C)(CO)NC(=O)c1cc(OCC2CC2)c(Cl)cn1 |r|
Show InChI InChI=1/C16H23ClN2O3/c1-10(2)16(3,9-20)19-15(21)13-6-14(12(17)7-18-13)22-8-11-4-5-11/h6-7,10-11,20H,4-5,8-9H2,1-3H3,(H,19,21)/t16-/s2
PDB

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n/an/an/an/a 12.8n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240300
PNG
(US9409866, 15)
Show SMILES CC(C)[C@](C)(CO)NC(=O)c1cc(Cc2ccc(F)cc2)c(Cl)cn1 |r|
Show InChI InChI=1/C19H22ClFN2O2/c1-12(2)19(3,11-24)23-18(25)17-9-14(16(20)10-22-17)8-13-4-6-15(21)7-5-13/h4-7,9-10,12,24H,8,11H2,1-3H3,(H,23,25)/t19-/s2
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n/an/an/an/a 5.80n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240301
PNG
(US9409866, 16)
Show SMILES FC(F)(F)[C@H](NC(=O)c1cc(OCC2CC2)c(Cl)cn1)c1ccccn1 |r|
Show InChI InChI=1/C17H15ClF3N3O2/c18-11-8-23-13(7-14(11)26-9-10-4-5-10)16(25)24-15(17(19,20)21)12-3-1-2-6-22-12/h1-3,6-8,10,15H,4-5,9H2,(H,24,25)/t15-/s2
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n/an/an/an/a 3.10n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240302
PNG
(US9409866, 17)
Show SMILES CC(C)(CO)CNC(=O)c1cc(OCC2CC2)c(Cl)cn1
Show InChI InChI=1S/C15H21ClN2O3/c1-15(2,9-19)8-18-14(20)12-5-13(11(16)6-17-12)21-7-10-3-4-10/h5-6,10,19H,3-4,7-9H2,1-2H3,(H,18,20)
PDB

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n/an/an/an/a 47.3n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240303
PNG
(US9409866, 18)
Show SMILES CC(C)C(CCO)NC(=O)c1cc(OCC2CC2)c(Cl)cn1
Show InChI InChI=1/C16H23ClN2O3/c1-10(2)13(5-6-20)19-16(21)14-7-15(12(17)8-18-14)22-9-11-3-4-11/h7-8,10-11,13,20H,3-6,9H2,1-2H3,(H,19,21)
PDB

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n/an/an/an/a 149n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240304
PNG
(US9409866, 19)
Show SMILES OCCC(NC(=O)c1cc(OCC2CC2)c(Cl)cn1)C1CC1
Show InChI InChI=1/C16H21ClN2O3/c17-12-8-18-14(7-15(12)22-9-10-1-2-10)16(21)19-13(5-6-20)11-3-4-11/h7-8,10-11,13,20H,1-6,9H2,(H,19,21)
PDB

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n/an/an/an/a 61.5n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240305
PNG
(US9409866, 20)
Show SMILES OCC1(CNC(=O)c2cc(OCC3CC3)c(Cl)cn2)CCCC1
Show InChI InChI=1S/C17H23ClN2O3/c18-13-8-19-14(7-15(13)23-9-12-3-4-12)16(22)20-10-17(11-21)5-1-2-6-17/h7-8,12,21H,1-6,9-11H2,(H,20,22)
PDB

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n/an/an/an/a 23.2n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240306
PNG
(US9409866, 21)
Show SMILES CCC(CC)(CO)NC(=O)c1cc(OCC2CC2)c(Cl)cn1
Show InChI InChI=1S/C16H23ClN2O3/c1-3-16(4-2,10-20)19-15(21)13-7-14(12(17)8-18-13)22-9-11-5-6-11/h7-8,11,20H,3-6,9-10H2,1-2H3,(H,19,21)
PDB

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n/an/an/an/a 40.4n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240307
PNG
(US9409866, 22)
Show SMILES FC(F)(F)[C@@H](NC(=O)c1cc(OCC2CC2)c(Cl)cn1)c1cccnc1 |r|
Show InChI InChI=1/C17H15ClF3N3O2/c18-12-8-23-13(6-14(12)26-9-10-3-4-10)16(25)24-15(17(19,20)21)11-2-1-5-22-7-11/h1-2,5-8,10,15H,3-4,9H2,(H,24,25)/t15-/s2
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n/an/an/an/a 5.70n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240308
PNG
(US9409866, 23)
Show SMILES CNC(=O)[C@@H](NC(=O)c1cc(OC2COC2)c(Cl)cn1)C(C)(C)C |r|
Show InChI InChI=1/C16H22ClN3O4/c1-16(2,3)13(15(22)18-4)20-14(21)11-5-12(10(17)6-19-11)24-9-7-23-8-9/h5-6,9,13H,7-8H2,1-4H3,(H,18,22)(H,20,21)/t13-/s2
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n/an/an/an/a 205n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240309
PNG
(US9409866, 24)
Show SMILES CNC(=O)[C@@H](NC(=O)c1cc(OCC(F)(F)F)c(Cl)cn1)C(C)(C)C |r|
Show InChI InChI=1/C15H19ClF3N3O3/c1-14(2,3)11(13(24)20-4)22-12(23)9-5-10(8(16)6-21-9)25-7-15(17,18)19/h5-6,11H,7H2,1-4H3,(H,20,24)(H,22,23)/t11-/s2
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n/an/an/an/a 9.80n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240310
PNG
(US9409866, 25)
Show SMILES CC(C)CC(C)(CO)NC(=O)c1cc(OCC2CC2)c(Cl)cn1
Show InChI InChI=1/C17H25ClN2O3/c1-11(2)7-17(3,10-21)20-16(22)14-6-15(13(18)8-19-14)23-9-12-4-5-12/h6,8,11-12,21H,4-5,7,9-10H2,1-3H3,(H,20,22)
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n/an/an/an/a 11.9n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240311
PNG
(US9409866, 26)
Show SMILES CCC(C)(CO)NC(=O)c1cc(OCC2CC2)c(Cl)cn1
Show InChI InChI=1/C15H21ClN2O3/c1-3-15(2,9-19)18-14(20)12-6-13(11(16)7-17-12)21-8-10-4-5-10/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,18,20)
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n/an/an/an/a 47.6n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240312
PNG
(US9409866, 27)
Show SMILES CC(C)C[C@@](C)(CO)NC(=O)c1cc(OCC2CC2)c(Cl)cn1 |r|
Show InChI InChI=1/C17H25ClN2O3/c1-11(2)7-17(3,10-21)20-16(22)14-6-15(13(18)8-19-14)23-9-12-4-5-12/h6,8,11-12,21H,4-5,7,9-10H2,1-3H3,(H,20,22)/t17-/s2
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n/an/an/an/a 22.4n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240313
PNG
(US9409866, 28)
Show SMILES CC(C)C[C@](C)(CO)NC(=O)c1cc(OCC2CC2)c(Cl)cn1 |r|
Show InChI InChI=1/C17H25ClN2O3/c1-11(2)7-17(3,10-21)20-16(22)14-6-15(13(18)8-19-14)23-9-12-4-5-12/h6,8,11-12,21H,4-5,7,9-10H2,1-3H3,(H,20,22)/t17-/s2
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n/an/an/an/a 26.3n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240314
PNG
(US9409866, 29)
Show SMILES CC(C)(C)[C@H](CO)NC(=O)c1cc(OCC2CC2)c(Cl)cn1 |r|
Show InChI InChI=1/C16H23ClN2O3/c1-16(2,3)14(8-20)19-15(21)12-6-13(11(17)7-18-12)22-9-10-4-5-10/h6-7,10,14,20H,4-5,8-9H2,1-3H3,(H,19,21)/t14-/s2
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n/an/an/an/a 64.6n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240315
PNG
(US9409866, 30)
Show SMILES CC[C@](C)(CO)NC(=O)c1cc(OCC2CC2)c(Cl)cn1 |r|
Show InChI InChI=1/C15H21ClN2O3/c1-3-15(2,9-19)18-14(20)12-6-13(11(16)7-17-12)21-8-10-4-5-10/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,18,20)/t15-/s2
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n/an/an/an/a 19.2n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240316
PNG
(US9409866, 31)
Show SMILES COC(=O)C(C)C(C)(C)NC(=O)c1cc(OCC2CC2)c(Cl)cn1
Show InChI InChI=1/C17H23ClN2O4/c1-10(16(22)23-4)17(2,3)20-15(21)13-7-14(12(18)8-19-13)24-9-11-5-6-11/h7-8,10-11H,5-6,9H2,1-4H3,(H,20,21)
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n/an/an/an/a 9.5n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240317
PNG
(US9409866, 32)
Show SMILES Clc1cnc(cc1OCC1CC1)C(=O)NC1(COC1)c1nccs1
Show InChI InChI=1S/C16H16ClN3O3S/c17-11-6-19-12(5-13(11)23-7-10-1-2-10)14(21)20-16(8-22-9-16)15-18-3-4-24-15/h3-6,10H,1-2,7-9H2,(H,20,21)
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n/an/an/an/a 74.6n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240318
PNG
(US9409866, 33)
Show SMILES CCCC(C)(CO)NC(=O)c1cc(OCC2CC2)c(Cl)cn1
Show InChI InChI=1/C16H23ClN2O3/c1-3-6-16(2,10-20)19-15(21)13-7-14(12(17)8-18-13)22-9-11-4-5-11/h7-8,11,20H,3-6,9-10H2,1-2H3,(H,19,21)
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n/an/an/an/a 24.4n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240319
PNG
(US9409866, 34)
Show SMILES CNC(=O)[C@@H](C)C(C)(C)NC(=O)c1cc(OCC2CC2)c(Cl)cn1 |r|
Show InChI InChI=1/C17H24ClN3O3/c1-10(15(22)19-4)17(2,3)21-16(23)13-7-14(12(18)8-20-13)24-9-11-5-6-11/h7-8,10-11H,5-6,9H2,1-4H3,(H,19,22)(H,21,23)/t10-/s2
PDB

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n/an/an/an/a 268n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240320
PNG
(US9409866, 35)
Show SMILES CNC(=O)[C@H](C)C(C)(C)NC(=O)c1cc(OCC2CC2)c(Cl)cn1 |r|
Show InChI InChI=1/C17H24ClN3O3/c1-10(15(22)19-4)17(2,3)21-16(23)13-7-14(12(18)8-20-13)24-9-11-5-6-11/h7-8,10-11H,5-6,9H2,1-4H3,(H,19,22)(H,21,23)/t10-/s2
PDB

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n/an/an/an/a 143n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240321
PNG
(US9409866, 36)
Show SMILES Clc1cnc(cc1OCC1CC1)C(=O)NC1(COC1)c1ncco1
Show InChI InChI=1S/C16H16ClN3O4/c17-11-6-19-12(5-13(11)24-7-10-1-2-10)14(21)20-16(8-22-9-16)15-18-3-4-23-15/h3-6,10H,1-2,7-9H2,(H,20,21)
PDB

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n/an/an/an/a 51.7n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240322
PNG
(US9409866, 37)
Show SMILES CCC[C@@](C)(CO)NC(=O)c1cc(OCC2CC2)c(Cl)cn1 |r|
Show InChI InChI=1/C16H23ClN2O3/c1-3-6-16(2,10-20)19-15(21)13-7-14(12(17)8-18-13)22-9-11-4-5-11/h7-8,11,20H,3-6,9-10H2,1-2H3,(H,19,21)/t16-/s2
PDB

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n/an/an/an/a 16.7n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240323
PNG
(US9409866, 38)
Show SMILES CC(C)(C)C(NC(=O)c1cc(OCC(F)(F)F)c(Cl)cn1)c1nccs1
Show InChI InChI=1/C16H17ClF3N3O2S/c1-15(2,3)12(14-21-4-5-26-14)23-13(24)10-6-11(9(17)7-22-10)25-8-16(18,19)20/h4-7,12H,8H2,1-3H3,(H,23,24)
PDB

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n/an/an/an/a 40.8n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240325
PNG
(US9409866, 40)
Show SMILES Fc1ccc(COc2cc(ncc2Cl)C(=O)N[C@@H](c2cccnc2)C(F)(F)F)cc1 |r|
Show InChI InChI=1/C20H14ClF4N3O2/c21-15-10-27-16(8-17(15)30-11-12-3-5-14(22)6-4-12)19(29)28-18(20(23,24)25)13-2-1-7-26-9-13/h1-10,18H,11H2,(H,28,29)/t18-/s2
PDB

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n/an/an/an/a 5n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240326
PNG
(US9409866, 41)
Show SMILES Fc1ccc(Cc2cc(ncc2Cl)C(=O)N[C@@H](c2cccnc2)C(F)(F)F)cc1 |r|
Show InChI InChI=1/C20H14ClF4N3O/c21-16-11-27-17(9-14(16)8-12-3-5-15(22)6-4-12)19(29)28-18(20(23,24)25)13-2-1-7-26-10-13/h1-7,9-11,18H,8H2,(H,28,29)/t18-/s2
PDB

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n/an/an/an/a 3.30n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240327
PNG
(US9409866, 42)
Show SMILES O=C(NC1(COC1)c1nccs1)c1cc(OCC2CC2)c(cn1)C1CC1
Show InChI InChI=1S/C19H21N3O3S/c23-17(22-19(10-24-11-19)18-20-5-6-26-18)15-7-16(25-9-12-1-2-12)14(8-21-15)13-3-4-13/h5-8,12-13H,1-4,9-11H2,(H,22,23)
PDB

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n/an/an/an/a 11.6n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240328
PNG
(US9409866, 43)
Show SMILES CC(C)(C)C(NC(=O)c1cc(OCC2CC2)c(cn1)C1CC1)c1nccs1
Show InChI InChI=1/C21H27N3O2S/c1-21(2,3)18(20-22-8-9-27-20)24-19(25)16-10-17(26-12-13-4-5-13)15(11-23-16)14-6-7-14/h8-11,13-14,18H,4-7,12H2,1-3H3,(H,24,25)
PDB

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n/an/an/an/a 3.20n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240329
PNG
(US9409866, 44)
Show SMILES Cc1nc(no1)C(C)(NC(=O)c1cc(OCC2CC2)c(cn1)C1CC1)C1CC1
Show InChI InChI=1/C21H26N4O3/c1-12-23-20(25-28-12)21(2,15-7-8-15)24-19(26)17-9-18(27-11-13-3-4-13)16(10-22-17)14-5-6-14/h9-10,13-15H,3-8,11H2,1-2H3,(H,24,26)
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n/an/an/an/a 0.700n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240330
PNG
(US9409866, 45)
Show SMILES CCC(CC)(NC(=O)c1cc(OCC2CC2)c(cn1)C1CC1)C(=O)NC
Show InChI InChI=1S/C20H29N3O3/c1-4-20(5-2,19(25)21-3)23-18(24)16-10-17(26-12-13-6-7-13)15(11-22-16)14-8-9-14/h10-11,13-14H,4-9,12H2,1-3H3,(H,21,25)(H,23,24)
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n/an/an/an/a 17n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240331
PNG
(US9409866, 46)
Show SMILES FC(F)(F)C(NC(=O)c1cc(OCC2CC2)c(cn1)C1CC1)c1ccccn1
Show InChI InChI=1/C20H20F3N3O2/c21-20(22,23)18(15-3-1-2-8-24-15)26-19(27)16-9-17(28-11-12-4-5-12)14(10-25-16)13-6-7-13/h1-3,8-10,12-13,18H,4-7,11H2,(H,26,27)
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n/an/an/an/a 6.70n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240332
PNG
(US9409866, 47)
Show SMILES CC(C)C[C@H](NC(=O)c1cc(OCC2CC2)c(cn1)C1CC1)C(N)=O |r|
Show InChI InChI=1/C19H27N3O3/c1-11(2)7-15(18(20)23)22-19(24)16-8-17(25-10-12-3-4-12)14(9-21-16)13-5-6-13/h8-9,11-13,15H,3-7,10H2,1-2H3,(H2,20,23)(H,22,24)/t15-/s2
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n/an/an/an/a 11.8n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240333
PNG
(US9409866, 48)
Show SMILES CNC(=O)[C@@H](NC(=O)c1cc(OCC(F)(F)F)c(cn1)C1CC1)C(C)(C)C |r|
Show InChI InChI=1/C18H24F3N3O3/c1-17(2,3)14(16(26)22-4)24-15(25)12-7-13(27-9-18(19,20)21)11(8-23-12)10-5-6-10/h7-8,10,14H,5-6,9H2,1-4H3,(H,22,26)(H,24,25)/t14-/s2
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n/an/an/an/a 1.57n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240334
PNG
(US9409866, 49)
Show SMILES Cc1nc(no1)C(C)(NC(=O)c1cc(OCC(F)(F)F)c(cn1)C1CC1)C1CC1
Show InChI InChI=1/C19H21F3N4O3/c1-10-24-17(26-29-10)18(2,12-5-6-12)25-16(27)14-7-15(28-9-19(20,21)22)13(8-23-14)11-3-4-11/h7-8,11-12H,3-6,9H2,1-2H3,(H,25,27)
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n/an/an/an/a 1.70n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240335
PNG
(US9409866, 50)
Show SMILES CC(C)(C)C(NC(=O)c1cc(OCC(F)(F)F)c(cn1)C1CC1)c1nccs1
Show InChI InChI=1/C19H22F3N3O2S/c1-18(2,3)15(17-23-6-7-28-17)25-16(26)13-8-14(27-10-19(20,21)22)12(9-24-13)11-4-5-11/h6-9,11,15H,4-5,10H2,1-3H3,(H,25,26)
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n/an/an/an/a 5.80n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240336
PNG
(US9409866, 51)
Show SMILES FC(F)(F)COc1cc(ncc1C1CC1)C(=O)NC(c1ccccn1)C(F)(F)F
Show InChI InChI=1/C18H15F6N3O2/c19-17(20,21)9-29-14-7-13(26-8-11(14)10-4-5-10)16(28)27-15(18(22,23)24)12-3-1-2-6-25-12/h1-3,6-8,10,15H,4-5,9H2,(H,27,28)
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n/an/an/an/a 12.2n/an/an/a37



HOFFMANN-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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
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