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Patent code US10183946

Compile Data Set for Download or QSAR
Found 92 hits of Enzyme Inhibition Constant Data   
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))
BDBM322971
PNG
(5-tert-butyl-3-[(2-chlorophenyl)methyl]-7-(4-fluor...)
Show SMILES CC(C)(C)c1nc(-c2ccc(F)cc2)c2nnn(Cc3ccccc3Cl)c2n1
Show InChI InChI=1S/C21H19ClFN5/c1-21(2,3)20-24-17(13-8-10-15(23)11-9-13)18-19(25-20)28(27-26-18)12-14-6-4-5-7-16(14)22/h4-11H,12H2,1-3H3
PDB

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n/an/an/an/a 28.5n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM322977
PNG
(5-tert-butyl-3-[(2-chlorophenyl)methyl]-7-(1-methy...)
Show SMILES Cn1cc(cn1)-c1nc(nc2n(Cc3ccccc3Cl)nnc12)C(C)(C)C
Show InChI InChI=1S/C19H20ClN7/c1-19(2,3)18-22-15(13-9-21-26(4)10-13)16-17(23-18)27(25-24-16)11-12-7-5-6-8-14(12)20/h5-10H,11H2,1-4H3
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n/an/an/an/a 17.4n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM322984
PNG
(2-[[5-tert-butyl-7-(2-methylpyrazol-3-yl)triazolo[...)
Show SMILES Cc1nnc(Cn2nnc3c(nc(nc23)C(C)(C)C)-c2ccnn2C)o1
Show InChI InChI=1S/C16H19N9O/c1-9-20-21-11(26-9)8-25-14-13(22-23-25)12(10-6-7-17-24(10)5)18-15(19-14)16(2,3)4/h6-7H,8H2,1-5H3
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n/an/an/an/a 317n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM322990
PNG
(5-tert-butyl-3-[(3-chloropyridin-2-yl)methyl]-7-(2...)
Show SMILES Cn1nccc1-c1nc(nc2n(Cc3ncccc3Cl)nnc12)C(C)(C)C
Show InChI InChI=1S/C18H19ClN8/c1-18(2,3)17-22-14(13-7-9-21-26(13)4)15-16(23-17)27(25-24-15)10-12-11(19)6-5-8-20-12/h5-9H,10H2,1-4H3
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n/an/an/an/a 39.5n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM322998
PNG
(7-(3-benzyltriazol-4-yl)-5-tert-butyl-3-[(1-methyl...)
Show SMILES Cn1nnnc1Cn1nnc2c(nc(nc12)C(C)(C)C)-c1cnnn1Cc1ccccc1
Show InChI InChI=1S/C20H22N12/c1-20(2,3)19-22-16(14-10-21-27-31(14)11-13-8-6-5-7-9-13)17-18(23-19)32(28-25-17)12-15-24-26-29-30(15)4/h5-10H,11-12H2,1-4H3
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n/an/an/an/a 16.6n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM323012
PNG
(5-tert-Butyl-3-[(2-chlorophenyl)methyl]-7-[1-(fluo...)
Show SMILES CC(C)(C)c1nc(c2nnn(Cc3ccccc3Cl)c2n1)C1(CF)CC1
Show InChI InChI=1S/C19H21ClFN5/c1-18(2,3)17-22-15(19(11-21)8-9-19)14-16(23-17)26(25-24-14)10-12-6-4-5-7-13(12)20/h4-7H,8-11H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM322976
PNG
(5-tert-butyl-3-[(2-chlorophenyl)methyl]-7-(5-methy...)
Show SMILES Cc1ccc(nc1)-c1nc(nc2n(Cc3ccccc3Cl)nnc12)C(C)(C)C
Show InChI InChI=1S/C21H21ClN6/c1-13-9-10-16(23-11-13)17-18-19(25-20(24-17)21(2,3)4)28(27-26-18)12-14-7-5-6-8-15(14)22/h5-11H,12H2,1-4H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM322982
PNG
(5-tert-butyl-7-(2-methylpyrazol-3-yl)-3-[(1-methyl...)
Show SMILES Cn1nccc1-c1nc(nc2n(Cc3nnnn3C)nnc12)C(C)(C)C
Show InChI InChI=1S/C15H19N11/c1-15(2,3)14-17-11(9-6-7-16-24(9)4)12-13(18-14)26(22-20-12)8-10-19-21-23-25(10)5/h6-7H,8H2,1-5H3
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n/an/an/an/a 33.3n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM322983
PNG
(3-[[5-tert-butyl-7-(2-methylpyrazol-3-yl)triazolo[...)
Show SMILES CC1N=[O]N=C1Cn1nnc2c(nc(nc12)C(C)(C)C)-c1ccnn1C
Show InChI InChI=1S/C16H20N9O/c1-9-10(22-26-21-9)8-25-14-13(20-23-25)12(11-6-7-17-24(11)5)18-15(19-14)16(2,3)4/h6-7,9H,8H2,1-5H3
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n/an/an/an/a 1.30n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM323001
PNG
(3-Benzyl-5-tert-butyl-7-(1-fluorocyclobutyl)triazo...)
Show SMILES CC(C)(C)c1nc(c2nnn(Cc3ccccc3)c2n1)C1(F)CCC1
Show InChI InChI=1S/C19H22FN5/c1-18(2,3)17-21-15(19(20)10-7-11-19)14-16(22-17)25(24-23-14)12-13-8-5-4-6-9-13/h4-6,8-9H,7,10-12H2,1-3H3
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n/an/an/an/a 24n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM323002
PNG
(1-[5-tert-Butyl-3-[(2-chlorophenyl)methyl]triazolo...)
Show SMILES CC(C)(C)c1nc(c2nnn(Cc3ccccc3Cl)c2n1)C1(O)CCC1
Show InChI InChI=1S/C19H22ClN5O/c1-18(2,3)17-21-15(19(26)9-6-10-19)14-16(22-17)25(24-23-14)11-12-7-4-5-8-13(12)20/h4-5,7-8,26H,6,9-11H2,1-3H3
PDB

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



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM322970
PNG
(5-tert-butyl-3-[(2-chlorophenyl)methyl]-7-(4-methy...)
Show SMILES Cc1ccc(cc1)-c1nc(nc2n(Cc3ccccc3Cl)nnc12)C(C)(C)C
Show InChI InChI=1S/C22H22ClN5/c1-14-9-11-15(12-10-14)18-19-20(25-21(24-18)22(2,3)4)28(27-26-19)13-16-7-5-6-8-17(16)23/h5-12H,13H2,1-4H3
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n/an/an/an/a 206n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM322975
PNG
(5-tert-butyl-3-[(2-chlorophenyl)methyl]-7-(6-fluor...)
Show SMILES CC(C)(C)c1nc(-c2ccc(F)nc2)c2nnn(Cc3ccccc3Cl)c2n1
Show InChI InChI=1S/C20H18ClFN6/c1-20(2,3)19-24-16(12-8-9-15(22)23-10-12)17-18(25-19)28(27-26-17)11-13-6-4-5-7-14(13)21/h4-10H,11H2,1-3H3
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n/an/an/an/a 2.70n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM322979
PNG
(5-tert-butyl-3-[(2-chlorophenyl)methyl]-7-phenyltr...)
Show SMILES CC(C)(C)c1nc(-c2ccccc2)c2nnn(Cc3ccccc3Cl)c2n1
Show InChI InChI=1S/C21H20ClN5/c1-21(2,3)20-23-17(14-9-5-4-6-10-14)18-19(24-20)27(26-25-18)13-15-11-7-8-12-16(15)22/h4-12H,13H2,1-3H3
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n/an/an/an/a 80.2n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM322982
PNG
(5-tert-butyl-7-(2-methylpyrazol-3-yl)-3-[(1-methyl...)
Show SMILES Cn1nccc1-c1nc(nc2n(Cc3nnnn3C)nnc12)C(C)(C)C
Show InChI InChI=1S/C15H19N11/c1-15(2,3)14-17-11(9-6-7-16-24(9)4)12-13(18-14)26(22-20-12)8-10-19-21-23-25(10)5/h6-7H,8H2,1-5H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM322989
PNG
(5-tert-butyl-7-(2-methylpyrazol-3-yl)-3-(3,3,3-tri...)
Show SMILES Cn1nccc1-c1nc(nc2n(CCC(F)(F)F)nnc12)C(C)(C)C
Show InChI InChI=1S/C15H18F3N7/c1-14(2,3)13-20-10(9-5-7-19-24(9)4)11-12(21-13)25(23-22-11)8-6-15(16,17)18/h5,7H,6,8H2,1-4H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM322994
PNG
(5-tert-butyl-3-[(1-methyltetrazol-5-yl)methyl]-7-(...)
Show SMILES Cn1nnnc1Cn1nnc2c(nc(nc12)C(C)(C)C)-c1cn[nH]c1
Show InChI InChI=1S/C14H17N11/c1-14(2,3)13-17-10(8-5-15-16-6-8)11-12(18-13)25(22-20-11)7-9-19-21-23-24(9)4/h5-6H,7H2,1-4H3,(H,15,16)
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n/an/an/an/a>1.00E+4n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM322996
PNG
(4-[5-tert-butyl-3-[(1-methyltetrazol-5-yl)methyl]t...)
Show SMILES Cc1oncc1-c1nc(nc2n(Cc3nnnn3C)nnc12)C(C)(C)C
Show InChI InChI=1S/C15H18N10O/c1-8-9(6-16-26-8)11-12-13(18-14(17-11)15(2,3)4)25(22-20-12)7-10-19-21-23-24(10)5/h6H,7H2,1-5H3
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n/an/an/an/a 515n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM322999
PNG
(3-[[5-tert-butyl-7-(6-fluoropyridin-3-yl)triazolo[...)
Show SMILES Cc1nonc1Cn1nnc2c(nc(nc12)C(C)(C)C)-c1ccc(F)nc1
Show InChI InChI=1S/C17H17FN8O/c1-9-11(24-27-23-9)8-26-15-14(22-25-26)13(10-5-6-12(18)19-7-10)20-16(21-15)17(2,3)4/h5-7H,8H2,1-4H3
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n/an/an/an/a 639n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM323003
PNG
(1-[5-tert-Butyl-3-[(2-chlorophenyl)methyl]triazolo...)
Show SMILES CC(C)(C)c1nc(c2nnn(Cc3ccccc3Cl)c2n1)C1(O)CCCC1
Show InChI InChI=1S/C20H24ClN5O/c1-19(2,3)18-22-16(20(27)10-6-7-11-20)15-17(23-18)26(25-24-15)12-13-8-4-5-9-14(13)21/h4-5,8-9,27H,6-7,10-12H2,1-3H3
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n/an/an/an/a 35.3n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM323004
PNG
(1-[5-tert-Butyl-3-[(2-chlorophenyl)methyl]triazolo...)
Show SMILES CC(C)(C)c1nc(c2nnn(Cc3ccccc3Cl)c2n1)C1(O)CCCCC1
Show InChI InChI=1S/C21H26ClN5O/c1-20(2,3)19-23-17(21(28)11-7-4-8-12-21)16-18(24-19)27(26-25-16)13-14-9-5-6-10-15(14)22/h5-6,9-10,28H,4,7-8,11-13H2,1-3H3
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n/an/an/an/a 172n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM323009
PNG
(Trans-1-[5-tert-Butyl-3-[(2-chlorophenyl)methyl]tr...)
Show SMILES CC(C)(C)c1nc(c2nnn(Cc3ccccc3Cl)c2n1)[C@]1(O)C[C@@H](C1)C(F)F
Show InChI InChI=1S/C20H22ClF2N5O/c1-19(2,3)18-24-15(20(29)8-12(9-20)16(22)23)14-17(25-18)28(27-26-14)10-11-6-4-5-7-13(11)21/h4-7,12,16,29H,8-10H2,1-3H3/t12-,20-
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n/an/an/an/a 1.81E+3n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM323015
PNG
(US10183946, Example 45b)
Show SMILES CC(C)(C)c1nc(C2CCCC2)c2nnn(Cc3ccccc3)c2n1
Show InChI InChI=1S/C20H25N5/c1-20(2,3)19-21-16(15-11-7-8-12-15)17-18(22-19)25(24-23-17)13-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3
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n/an/an/an/a 30n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM322972
PNG
(5-tert-butyl-3-[(2-chlorophenyl)methyl]-7-(4-metho...)
Show SMILES COc1ccc(cc1)-c1nc(nc2n(Cc3ccccc3Cl)nnc12)C(C)(C)C
Show InChI InChI=1S/C22H22ClN5O/c1-22(2,3)21-24-18(14-9-11-16(29-4)12-10-14)19-20(25-21)28(27-26-19)13-15-7-5-6-8-17(15)23/h5-12H,13H2,1-4H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM322974
PNG
(5-tert-butyl-7-(4-chloro-2-fluorophenyl)-3-[(2-chl...)
Show SMILES CC(C)(C)c1nc(-c2ccc(Cl)cc2F)c2nnn(Cc3ccccc3Cl)c2n1
Show InChI InChI=1S/C21H18Cl2FN5/c1-21(2,3)20-25-17(14-9-8-13(22)10-16(14)24)18-19(26-20)29(28-27-18)11-12-6-4-5-7-15(12)23/h4-10H,11H2,1-3H3
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n/an/an/an/a 88.2n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM322980
PNG
(4-[5-tert-butyl-3-[(2-chlorophenyl)methyl]triazolo...)
Show SMILES Cc1oncc1-c1nc(nc2n(Cc3ccccc3Cl)nnc12)C(C)(C)C
Show InChI InChI=1S/C19H19ClN6O/c1-11-13(9-21-27-11)15-16-17(23-18(22-15)19(2,3)4)26(25-24-16)10-12-7-5-6-8-14(12)20/h5-9H,10H2,1-4H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM322984
PNG
(2-[[5-tert-butyl-7-(2-methylpyrazol-3-yl)triazolo[...)
Show SMILES Cc1nnc(Cn2nnc3c(nc(nc23)C(C)(C)C)-c2ccnn2C)o1
Show InChI InChI=1S/C16H19N9O/c1-9-20-21-11(26-9)8-25-14-13(22-23-25)12(10-6-7-17-24(10)5)18-15(19-14)16(2,3)4/h6-7H,8H2,1-5H3
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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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM322991
PNG
(1-[5-tert-butyl-7-(2-methylpyrazol-3-yl)triazolo[4...)
Show SMILES Cn1nccc1-c1nc(nc2n(CC(C)(C)O)nnc12)C(C)(C)C
Show InChI InChI=1S/C16H23N7O/c1-15(2,3)14-18-11(10-7-8-17-22(10)6)12-13(19-14)23(21-20-12)9-16(4,5)24/h7-8,24H,9H2,1-6H3
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n/an/an/an/a 206n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM322996
PNG
(4-[5-tert-butyl-3-[(1-methyltetrazol-5-yl)methyl]t...)
Show SMILES Cc1oncc1-c1nc(nc2n(Cc3nnnn3C)nnc12)C(C)(C)C
Show InChI InChI=1S/C15H18N10O/c1-8-9(6-16-26-8)11-12-13(18-14(17-11)15(2,3)4)25(22-20-12)7-10-19-21-23-24(10)5/h6H,7H2,1-5H3
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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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM322997
PNG
(5-tert-butyl-7-(1H-imidazol-2-yl)-3-[(1-methyltetr...)
Show SMILES Cn1nnnc1Cn1nnc2c(nc(nc12)C(C)(C)C)-c1ncc[nH]1
Show InChI InChI=1S/C14H17N11/c1-14(2,3)13-17-9(11-15-5-6-16-11)10-12(18-13)25(22-20-10)7-8-19-21-23-24(8)4/h5-6H,7H2,1-4H3,(H,15,16)
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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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM323000
PNG
(1-(3-Benzyl-5-tert-butyltriazolo[4,5-d]pyrimidin-7...)
Show SMILES CC(C)(C)c1nc(c2nnn(Cc3ccccc3)c2n1)C1(O)CCC1
Show InChI InChI=1S/C19H23N5O/c1-18(2,3)17-20-15(19(25)10-7-11-19)14-16(21-17)24(23-22-14)12-13-8-5-4-6-9-13/h4-6,8-9,25H,7,10-12H2,1-3H3
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n/an/an/an/a 4.5n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM323001
PNG
(3-Benzyl-5-tert-butyl-7-(1-fluorocyclobutyl)triazo...)
Show SMILES CC(C)(C)c1nc(c2nnn(Cc3ccccc3)c2n1)C1(F)CCC1
Show InChI InChI=1S/C19H22FN5/c1-18(2,3)17-21-15(19(20)10-7-11-19)14-16(22-17)25(24-23-14)12-13-8-5-4-6-9-13/h4-6,8-9H,7,10-12H2,1-3H3
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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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM323003
PNG
(1-[5-tert-Butyl-3-[(2-chlorophenyl)methyl]triazolo...)
Show SMILES CC(C)(C)c1nc(c2nnn(Cc3ccccc3Cl)c2n1)C1(O)CCCC1
Show InChI InChI=1S/C20H24ClN5O/c1-19(2,3)18-22-16(20(27)10-6-7-11-20)15-17(23-18)26(25-24-15)12-13-8-4-5-9-14(13)21/h4-5,8-9,27H,6-7,10-12H2,1-3H3
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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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM323004
PNG
(1-[5-tert-Butyl-3-[(2-chlorophenyl)methyl]triazolo...)
Show SMILES CC(C)(C)c1nc(c2nnn(Cc3ccccc3Cl)c2n1)C1(O)CCCCC1
Show InChI InChI=1S/C21H26ClN5O/c1-20(2,3)19-23-17(21(28)11-7-4-8-12-21)16-18(24-19)27(26-25-16)13-14-9-5-6-10-15(14)22/h5-6,9-10,28H,4,7-8,11-13H2,1-3H3
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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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM323005
PNG
(1-[5-tert-Butyl-3-[(2-chlorophenyl)methyl]triazolo...)
Show SMILES CC(C)(C)c1nc(c2nnn(Cc3ccccc3Cl)c2n1)C1(O)CCCCCC1
Show InChI InChI=1S/C22H28ClN5O/c1-21(2,3)20-24-18(22(29)12-8-4-5-9-13-22)17-19(25-20)28(27-26-17)14-15-10-6-7-11-16(15)23/h6-7,10-11,29H,4-5,8-9,12-14H2,1-3H3
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n/an/an/an/a 17.3n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM323009
PNG
(Trans-1-[5-tert-Butyl-3-[(2-chlorophenyl)methyl]tr...)
Show SMILES CC(C)(C)c1nc(c2nnn(Cc3ccccc3Cl)c2n1)[C@]1(O)C[C@@H](C1)C(F)F
Show InChI InChI=1S/C20H22ClF2N5O/c1-19(2,3)18-24-15(20(29)8-12(9-20)16(22)23)14-17(25-18)28(27-26-14)10-11-6-4-5-7-13(11)21/h4-7,12,16,29H,8-10H2,1-3H3/t12-,20-
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n/an/an/an/a 9.80n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM323012
PNG
(5-tert-Butyl-3-[(2-chlorophenyl)methyl]-7-[1-(fluo...)
Show SMILES CC(C)(C)c1nc(c2nnn(Cc3ccccc3Cl)c2n1)C1(CF)CC1
Show InChI InChI=1S/C19H21ClFN5/c1-18(2,3)17-22-15(19(11-21)8-9-19)14-16(23-17)26(25-24-14)10-12-6-4-5-7-13(12)20/h4-7H,8-11H2,1-3H3
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n/an/an/an/a 903n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM322971
PNG
(5-tert-butyl-3-[(2-chlorophenyl)methyl]-7-(4-fluor...)
Show SMILES CC(C)(C)c1nc(-c2ccc(F)cc2)c2nnn(Cc3ccccc3Cl)c2n1
Show InChI InChI=1S/C21H19ClFN5/c1-21(2,3)20-24-17(13-8-10-15(23)11-9-13)18-19(25-20)28(27-26-18)12-14-6-4-5-7-16(14)22/h4-11H,12H2,1-3H3
PDB

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



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM322973
PNG
(5-tert-butyl-3-[(2-chlorophenyl)methyl]-7-(2-fluor...)
Show SMILES CC(C)(C)c1nc(-c2ccccc2F)c2nnn(Cc3ccccc3Cl)c2n1
Show InChI InChI=1S/C21H19ClFN5/c1-21(2,3)20-24-17(14-9-5-7-11-16(14)23)18-19(25-20)28(27-26-18)12-13-8-4-6-10-15(13)22/h4-11H,12H2,1-3H3
PDB

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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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM322974
PNG
(5-tert-butyl-7-(4-chloro-2-fluorophenyl)-3-[(2-chl...)
Show SMILES CC(C)(C)c1nc(-c2ccc(Cl)cc2F)c2nnn(Cc3ccccc3Cl)c2n1
Show InChI InChI=1S/C21H18Cl2FN5/c1-21(2,3)20-25-17(14-9-8-13(22)10-16(14)24)18-19(26-20)29(28-27-18)11-12-6-4-5-7-15(12)23/h4-10H,11H2,1-3H3
PDB

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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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM322977
PNG
(5-tert-butyl-3-[(2-chlorophenyl)methyl]-7-(1-methy...)
Show SMILES Cn1cc(cn1)-c1nc(nc2n(Cc3ccccc3Cl)nnc12)C(C)(C)C
Show InChI InChI=1S/C19H20ClN7/c1-19(2,3)18-22-15(13-9-21-26(4)10-13)16-17(23-18)27(25-24-16)11-12-7-5-6-8-14(12)20/h5-10H,11H2,1-4H3
PDB

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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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM322981
PNG
(5-tert-butyl-7-(2-methylpyrazol-3-yl)-3-[(2-methyl...)
Show SMILES Cn1nccc1-c1nc(nc2n(Cc3ccccc3S(C)(=O)=O)nnc12)C(C)(C)C
Show InChI InChI=1S/C20H23N7O2S/c1-20(2,3)19-22-16(14-10-11-21-26(14)4)17-18(23-19)27(25-24-17)12-13-8-6-7-9-15(13)30(5,28)29/h6-11H,12H2,1-5H3
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n/an/an/an/a 3n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM322981
PNG
(5-tert-butyl-7-(2-methylpyrazol-3-yl)-3-[(2-methyl...)
Show SMILES Cn1nccc1-c1nc(nc2n(Cc3ccccc3S(C)(=O)=O)nnc12)C(C)(C)C
Show InChI InChI=1S/C20H23N7O2S/c1-20(2,3)19-22-16(14-10-11-21-26(14)4)17-18(23-19)27(25-24-17)12-13-8-6-7-9-15(13)30(5,28)29/h6-11H,12H2,1-5H3
PDB

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



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM322986
PNG
((2S)-3-[5-tert-butyl-7-(2-methylpyrazol-3-yl)triaz...)
Show SMILES Cn1nccc1-c1nc(nc2n(C[C@H](O)C(F)(F)F)nnc12)C(C)(C)C
Show InChI InChI=1S/C15H18F3N7O/c1-14(2,3)13-20-10(8-5-6-19-24(8)4)11-12(21-13)25(23-22-11)7-9(26)15(16,17)18/h5-6,9,26H,7H2,1-4H3/t9-/m0/s1
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n/an/an/an/a 77.2n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM322987
PNG
(5-tert-butyl-7-(2-methylpyrazol-3-yl)-3-(oxolan-3-...)
Show SMILES Cn1nccc1-c1nc(nc2n(nnc12)C1CCOC1)C(C)(C)C
Show InChI InChI=1S/C16H21N7O/c1-16(2,3)15-18-12(11-5-7-17-22(11)4)13-14(19-15)23(21-20-13)10-6-8-24-9-10/h5,7,10H,6,8-9H2,1-4H3
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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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM322993
PNG
(5-tert-butyl-7-(1-methylpyrazol-4-yl)-3-[(1-methyl...)
Show SMILES Cn1cc(cn1)-c1nc(nc2n(Cc3nnnn3C)nnc12)C(C)(C)C
Show InChI InChI=1S/C15H19N11/c1-15(2,3)14-17-11(9-6-16-24(4)7-9)12-13(18-14)26(22-20-12)8-10-19-21-23-25(10)5/h6-7H,8H2,1-5H3
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n/an/an/an/a 156n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM322994
PNG
(5-tert-butyl-3-[(1-methyltetrazol-5-yl)methyl]-7-(...)
Show SMILES Cn1nnnc1Cn1nnc2c(nc(nc12)C(C)(C)C)-c1cn[nH]c1
Show InChI InChI=1S/C14H17N11/c1-14(2,3)13-17-10(8-5-15-16-6-8)11-12(18-13)25(22-20-11)7-9-19-21-23-24(9)4/h5-6H,7H2,1-4H3,(H,15,16)
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n/an/an/an/a 32n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM322995
PNG
(5-tert-butyl-3-[(1-methyltetrazol-5-yl)methyl]-7-(...)
Show SMILES Cn1nnnc1Cn1nnc2c(nc(nc12)C(C)(C)C)-c1cc[nH]n1
Show InChI InChI=1S/C14H17N11/c1-14(2,3)13-16-10(8-5-6-15-18-8)11-12(17-13)25(22-20-11)7-9-19-21-23-24(9)4/h5-6H,7H2,1-4H3,(H,15,18)
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n/an/an/an/a 578n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM323000
PNG
(1-(3-Benzyl-5-tert-butyltriazolo[4,5-d]pyrimidin-7...)
Show SMILES CC(C)(C)c1nc(c2nnn(Cc3ccccc3)c2n1)C1(O)CCC1
Show InChI InChI=1S/C19H23N5O/c1-18(2,3)17-20-15(19(25)10-7-11-19)14-16(21-17)24(23-22-14)12-13-8-5-4-6-9-13/h4-6,8-9,25H,7,10-12H2,1-3H3
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n/an/an/an/a 645n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM323005
PNG
(1-[5-tert-Butyl-3-[(2-chlorophenyl)methyl]triazolo...)
Show SMILES CC(C)(C)c1nc(c2nnn(Cc3ccccc3Cl)c2n1)C1(O)CCCCCC1
Show InChI InChI=1S/C22H28ClN5O/c1-21(2,3)20-24-18(22(29)12-8-4-5-9-13-22)17-19(25-20)28(27-26-17)14-15-10-6-7-11-16(15)23/h6-7,10-11,29H,4-5,8-9,12-14H2,1-3H3
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n/an/an/an/a 126n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM323007
PNG
(3-[5-tert-Butyl-3-[(2-chlorophenyl)methyl]triazolo...)
Show SMILES CCC(O)(CC)c1nc(nc2n(Cc3ccccc3Cl)nnc12)C(C)(C)C
Show InChI InChI=1S/C20H26ClN5O/c1-6-20(27,7-2)16-15-17(23-18(22-16)19(3,4)5)26(25-24-15)12-13-10-8-9-11-14(13)21/h8-11,27H,6-7,12H2,1-5H3
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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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM323008
PNG
(3-[5-tert-Butyl-3-[(2-chlorophenyl)methyl]triazolo...)
Show SMILES CC(C)(C)c1nc(c2nnn(Cc3ccccc3Cl)c2n1)C1(O)CSC1
Show InChI InChI=1S/C18H20ClN5OS/c1-17(2,3)16-20-14(18(25)9-26-10-18)13-15(21-16)24(23-22-13)8-11-6-4-5-7-12(11)19/h4-7,25H,8-10H2,1-3H3
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n/an/an/an/a 168n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM323010
PNG
(Cis-1-[5-tert-Butyl-3-[(2-chlorophenyl)methyl]tria...)
Show SMILES CC(C)(C)c1nc(c2nnn(Cc3ccccc3Cl)c2n1)[C@@]1(O)C[C@@H](C1)C(F)F
Show InChI InChI=1S/C20H22ClF2N5O/c1-19(2,3)18-24-15(20(29)8-12(9-20)16(22)23)14-17(25-18)28(27-26-14)10-11-6-4-5-7-13(11)21/h4-7,12,16,29H,8-10H2,1-3H3/t12-,20+
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n/an/an/an/a 30.5n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM323013
PNG
(5-tert-Butyl-3-[(2-chlorophenyl)methyl]-7-(cyclope...)
Show SMILES CC(C)(C)c1nc(C2=CCCC2)c2nnn(Cc3ccccc3Cl)c2n1
Show InChI InChI=1S/C20H22ClN5/c1-20(2,3)19-22-16(13-8-4-5-9-13)17-18(23-19)26(25-24-17)12-14-10-6-7-11-15(14)21/h6-8,10-11H,4-5,9,12H2,1-3H3
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n/an/an/an/a 4n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM323014
PNG
(5-tert-Butyl-3-[(2-chlorophenyl)methyl]-7-cyclopen...)
Show SMILES CC(C)(C)c1nc(C2CCCC2)c2nnn(Cc3ccccc3Cl)c2n1
Show InChI InChI=1S/C20H24ClN5/c1-20(2,3)19-22-16(13-8-4-5-9-13)17-18(23-19)26(25-24-17)12-14-10-6-7-11-15(14)21/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3
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n/an/an/an/a 94.4n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM323015
PNG
(US10183946, Example 45b)
Show SMILES CC(C)(C)c1nc(C2CCCC2)c2nnn(Cc3ccccc3)c2n1
Show InChI InChI=1S/C20H25N5/c1-20(2,3)19-21-16(15-11-7-8-12-15)17-18(22-19)25(24-23-17)13-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3
PDB

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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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM322978
PNG
(5-tert-butyl-3-[(2-chlorophenyl)methyl]-7-(2-methy...)
Show SMILES Cn1nccc1-c1nc(nc2n(Cc3ccccc3Cl)nnc12)C(C)(C)C
Show InChI InChI=1S/C19H20ClN7/c1-19(2,3)18-22-15(14-9-10-21-26(14)4)16-17(23-18)27(25-24-16)11-12-7-5-6-8-13(12)20/h5-10H,11H2,1-4H3
PDB

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n/an/an/an/a 44.3n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM322983
PNG
(3-[[5-tert-butyl-7-(2-methylpyrazol-3-yl)triazolo[...)
Show SMILES CC1N=[O]N=C1Cn1nnc2c(nc(nc12)C(C)(C)C)-c1ccnn1C
Show InChI InChI=1S/C16H20N9O/c1-9-10(22-26-21-9)8-25-14-13(20-23-25)12(11-6-7-17-24(11)5)18-15(19-14)16(2,3)4/h6-7,9H,8H2,1-5H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM322985
PNG
(1-[5-tert-butyl-7-(2-methylpyrazol-3-yl)triazolo[4...)
Show SMILES Cn1nccc1-c1nc(nc2n(CC(O)CC(F)(F)F)nnc12)C(C)(C)C
Show InChI InChI=1S/C16H20F3N7O/c1-15(2,3)14-21-11(10-5-6-20-25(10)4)12-13(22-14)26(24-23-12)8-9(27)7-16(17,18)19/h5-6,9,27H,7-8H2,1-4H3
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n/an/an/an/a 42.4n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM322985
PNG
(1-[5-tert-butyl-7-(2-methylpyrazol-3-yl)triazolo[4...)
Show SMILES Cn1nccc1-c1nc(nc2n(CC(O)CC(F)(F)F)nnc12)C(C)(C)C
Show InChI InChI=1S/C16H20F3N7O/c1-15(2,3)14-21-11(10-5-6-20-25(10)4)12-13(22-14)26(24-23-12)8-9(27)7-16(17,18)19/h5-6,9,27H,7-8H2,1-4H3
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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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM322987
PNG
(5-tert-butyl-7-(2-methylpyrazol-3-yl)-3-(oxolan-3-...)
Show SMILES Cn1nccc1-c1nc(nc2n(nnc12)C1CCOC1)C(C)(C)C
Show InChI InChI=1S/C16H21N7O/c1-16(2,3)15-18-12(11-5-7-17-22(11)4)13-14(19-15)23(21-20-13)10-6-8-24-9-10/h5,7,10H,6,8-9H2,1-4H3
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n/an/an/an/a 86n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM322989
PNG
(5-tert-butyl-7-(2-methylpyrazol-3-yl)-3-(3,3,3-tri...)
Show SMILES Cn1nccc1-c1nc(nc2n(CCC(F)(F)F)nnc12)C(C)(C)C
Show InChI InChI=1S/C15H18F3N7/c1-14(2,3)13-20-10(9-5-7-19-24(9)4)11-12(21-13)25(23-22-11)8-6-15(16,17)18/h5,7H,6,8H2,1-4H3
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n/an/an/an/a 131n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM322999
PNG
(3-[[5-tert-butyl-7-(6-fluoropyridin-3-yl)triazolo[...)
Show SMILES Cc1nonc1Cn1nnc2c(nc(nc12)C(C)(C)C)-c1ccc(F)nc1
Show InChI InChI=1S/C17H17FN8O/c1-9-11(24-27-23-9)8-26-15-14(22-25-26)13(10-5-6-12(18)19-7-10)20-16(21-15)17(2,3)4/h5-7H,8H2,1-4H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM323005
PNG
(1-[5-tert-Butyl-3-[(2-chlorophenyl)methyl]triazolo...)
Show SMILES CC(C)(C)c1nc(c2nnn(Cc3ccccc3Cl)c2n1)C1(O)CCCCCC1
Show InChI InChI=1S/C22H28ClN5O/c1-21(2,3)20-24-18(22(29)12-8-4-5-9-13-22)17-19(25-20)28(27-26-17)14-15-10-6-7-11-16(15)23/h6-7,10-11,29H,4-5,8-9,12-14H2,1-3H3
PDB

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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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM323008
PNG
(3-[5-tert-Butyl-3-[(2-chlorophenyl)methyl]triazolo...)
Show SMILES CC(C)(C)c1nc(c2nnn(Cc3ccccc3Cl)c2n1)C1(O)CSC1
Show InChI InChI=1S/C18H20ClN5OS/c1-17(2,3)16-20-14(18(25)9-26-10-18)13-15(21-16)24(23-22-13)8-11-6-4-5-7-12(11)19/h4-7,25H,8-10H2,1-3H3
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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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM323010
PNG
(Cis-1-[5-tert-Butyl-3-[(2-chlorophenyl)methyl]tria...)
Show SMILES CC(C)(C)c1nc(c2nnn(Cc3ccccc3Cl)c2n1)[C@@]1(O)C[C@@H](C1)C(F)F
Show InChI InChI=1S/C20H22ClF2N5O/c1-19(2,3)18-24-15(20(29)8-12(9-20)16(22)23)14-17(25-18)28(27-26-14)10-11-6-4-5-7-13(11)21/h4-7,12,16,29H,8-10H2,1-3H3/t12-,20+
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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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM322972
PNG
(5-tert-butyl-3-[(2-chlorophenyl)methyl]-7-(4-metho...)
Show SMILES COc1ccc(cc1)-c1nc(nc2n(Cc3ccccc3Cl)nnc12)C(C)(C)C
Show InChI InChI=1S/C22H22ClN5O/c1-22(2,3)21-24-18(14-9-11-16(29-4)12-10-14)19-20(25-21)28(27-26-19)13-15-7-5-6-8-17(15)23/h5-12H,13H2,1-4H3
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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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM322975
PNG
(5-tert-butyl-3-[(2-chlorophenyl)methyl]-7-(6-fluor...)
Show SMILES CC(C)(C)c1nc(-c2ccc(F)nc2)c2nnn(Cc3ccccc3Cl)c2n1
Show InChI InChI=1S/C20H18ClFN6/c1-20(2,3)19-24-16(12-8-9-15(22)23-10-12)17-18(25-19)28(27-26-17)11-13-6-4-5-7-14(13)21/h4-10H,11H2,1-3H3
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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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM322980
PNG
(4-[5-tert-butyl-3-[(2-chlorophenyl)methyl]triazolo...)
Show SMILES Cc1oncc1-c1nc(nc2n(Cc3ccccc3Cl)nnc12)C(C)(C)C
Show InChI InChI=1S/C19H19ClN6O/c1-11-13(9-21-27-11)15-16-17(23-18(22-15)19(2,3)4)26(25-24-16)10-12-7-5-6-8-14(12)20/h5-9H,10H2,1-4H3
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n/an/an/an/a 76.5n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM322988
PNG
(5-tert-butyl-7-(2-methylpyrazol-3-yl)-3-(oxetan-3-...)
Show SMILES Cn1nccc1-c1nc(nc2n(nnc12)C1COC1)C(C)(C)C
Show InChI InChI=1S/C15H19N7O/c1-15(2,3)14-17-11(10-5-6-16-21(10)4)12-13(18-14)22(20-19-12)9-7-23-8-9/h5-6,9H,7-8H2,1-4H3
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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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM322988
PNG
(5-tert-butyl-7-(2-methylpyrazol-3-yl)-3-(oxetan-3-...)
Show SMILES Cn1nccc1-c1nc(nc2n(nnc12)C1COC1)C(C)(C)C
Show InChI InChI=1S/C15H19N7O/c1-15(2,3)14-17-11(10-5-6-16-21(10)4)12-13(18-14)22(20-19-12)9-7-23-8-9/h5-6,9H,7-8H2,1-4H3
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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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM322990
PNG
(5-tert-butyl-3-[(3-chloropyridin-2-yl)methyl]-7-(2...)
Show SMILES Cn1nccc1-c1nc(nc2n(Cc3ncccc3Cl)nnc12)C(C)(C)C
Show InChI InChI=1S/C18H19ClN8/c1-18(2,3)17-22-14(13-7-9-21-26(13)4)15-16(23-17)27(25-24-15)10-12-11(19)6-5-8-20-12/h5-9H,10H2,1-4H3
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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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM322991
PNG
(1-[5-tert-butyl-7-(2-methylpyrazol-3-yl)triazolo[4...)
Show SMILES Cn1nccc1-c1nc(nc2n(CC(C)(C)O)nnc12)C(C)(C)C
Show InChI InChI=1S/C16H23N7O/c1-15(2,3)14-18-11(10-7-8-17-22(10)6)12-13(19-14)23(21-20-12)9-16(4,5)24/h7-8,24H,9H2,1-6H3
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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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM322992
PNG
(5-tert-butyl-3-[(3-methyloxetan-3-yl)methyl]-7-(2-...)
Show SMILES Cn1nccc1-c1nc(nc2n(CC3(C)COC3)nnc12)C(C)(C)C
Show InChI InChI=1S/C17H23N7O/c1-16(2,3)15-19-12(11-6-7-18-23(11)5)13-14(20-15)24(22-21-13)8-17(4)9-25-10-17/h6-7H,8-10H2,1-5H3
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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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM322992
PNG
(5-tert-butyl-3-[(3-methyloxetan-3-yl)methyl]-7-(2-...)
Show SMILES Cn1nccc1-c1nc(nc2n(CC3(C)COC3)nnc12)C(C)(C)C
Show InChI InChI=1S/C17H23N7O/c1-16(2,3)15-19-12(11-6-7-18-23(11)5)13-14(20-15)24(22-21-13)8-17(4)9-25-10-17/h6-7H,8-10H2,1-5H3
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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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM322993
PNG
(5-tert-butyl-7-(1-methylpyrazol-4-yl)-3-[(1-methyl...)
Show SMILES Cn1cc(cn1)-c1nc(nc2n(Cc3nnnn3C)nnc12)C(C)(C)C
Show InChI InChI=1S/C15H19N11/c1-15(2,3)14-17-11(9-6-16-24(4)7-9)12-13(18-14)26(22-20-12)8-10-19-21-23-25(10)5/h6-7H,8H2,1-5H3
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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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM322995
PNG
(5-tert-butyl-3-[(1-methyltetrazol-5-yl)methyl]-7-(...)
Show SMILES Cn1nnnc1Cn1nnc2c(nc(nc12)C(C)(C)C)-c1cc[nH]n1
Show InChI InChI=1S/C14H17N11/c1-14(2,3)13-16-10(8-5-6-15-18-8)11-12(17-13)25(22-20-11)7-9-19-21-23-24(9)4/h5-6H,7H2,1-4H3,(H,15,18)
PDB

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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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM323005
PNG
(1-[5-tert-Butyl-3-[(2-chlorophenyl)methyl]triazolo...)
Show SMILES CC(C)(C)c1nc(c2nnn(Cc3ccccc3Cl)c2n1)C1(O)CCCCCC1
Show InChI InChI=1S/C22H28ClN5O/c1-21(2,3)20-24-18(22(29)12-8-4-5-9-13-22)17-19(25-20)28(27-26-17)14-15-10-6-7-11-16(15)23/h6-7,10-11,29H,4-5,8-9,12-14H2,1-3H3
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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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM323007
PNG
(3-[5-tert-Butyl-3-[(2-chlorophenyl)methyl]triazolo...)
Show SMILES CCC(O)(CC)c1nc(nc2n(Cc3ccccc3Cl)nnc12)C(C)(C)C
Show InChI InChI=1S/C20H26ClN5O/c1-6-20(27,7-2)16-15-17(23-18(22-16)19(3,4)5)26(25-24-15)12-13-10-8-9-11-14(13)21/h8-11,27H,6-7,12H2,1-5H3
PDB

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n/an/an/an/a 45.3n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM323011
PNG
(3-[5-tert-Butyl-3-[(2-chlorophenyl)methyl]triazolo...)
Show SMILES CC(C)(C)c1nc(c2nnn(Cc3ccccc3Cl)c2n1)C1(O)CS(=O)C1
Show InChI InChI=1S/C18H20ClN5O2S/c1-17(2,3)16-20-14(18(25)9-27(26)10-18)13-15(21-16)24(23-22-13)8-11-6-4-5-7-12(11)19/h4-7,25H,8-10H2,1-3H3
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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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM323014
PNG
(5-tert-Butyl-3-[(2-chlorophenyl)methyl]-7-cyclopen...)
Show SMILES CC(C)(C)c1nc(C2CCCC2)c2nnn(Cc3ccccc3Cl)c2n1
Show InChI InChI=1S/C20H24ClN5/c1-20(2,3)19-22-16(13-8-4-5-9-13)17-18(23-19)26(25-24-17)12-14-10-6-7-11-15(14)21/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3
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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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM322970
PNG
(5-tert-butyl-3-[(2-chlorophenyl)methyl]-7-(4-methy...)
Show SMILES Cc1ccc(cc1)-c1nc(nc2n(Cc3ccccc3Cl)nnc12)C(C)(C)C
Show InChI InChI=1S/C22H22ClN5/c1-14-9-11-15(12-10-14)18-19-20(25-21(24-18)22(2,3)4)28(27-26-19)13-16-7-5-6-8-17(16)23/h5-12H,13H2,1-4H3
PDB

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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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM322973
PNG
(5-tert-butyl-3-[(2-chlorophenyl)methyl]-7-(2-fluor...)
Show SMILES CC(C)(C)c1nc(-c2ccccc2F)c2nnn(Cc3ccccc3Cl)c2n1
Show InChI InChI=1S/C21H19ClFN5/c1-21(2,3)20-24-17(14-9-5-7-11-16(14)23)18-19(25-20)28(27-26-18)12-13-8-4-6-10-15(13)22/h4-11H,12H2,1-3H3
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n/an/an/an/a 65.2n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM322976
PNG
(5-tert-butyl-3-[(2-chlorophenyl)methyl]-7-(5-methy...)
Show SMILES Cc1ccc(nc1)-c1nc(nc2n(Cc3ccccc3Cl)nnc12)C(C)(C)C
Show InChI InChI=1S/C21H21ClN6/c1-13-9-10-16(23-11-13)17-18-19(25-20(24-17)21(2,3)4)28(27-26-18)12-14-7-5-6-8-15(14)22/h5-11H,12H2,1-4H3
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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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM322978
PNG
(5-tert-butyl-3-[(2-chlorophenyl)methyl]-7-(2-methy...)
Show SMILES Cn1nccc1-c1nc(nc2n(Cc3ccccc3Cl)nnc12)C(C)(C)C
Show InChI InChI=1S/C19H20ClN7/c1-19(2,3)18-22-15(14-9-10-21-26(14)4)16-17(23-18)27(25-24-16)11-12-7-5-6-8-13(12)20/h5-10H,11H2,1-4H3
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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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM322979
PNG
(5-tert-butyl-3-[(2-chlorophenyl)methyl]-7-phenyltr...)
Show SMILES CC(C)(C)c1nc(-c2ccccc2)c2nnn(Cc3ccccc3Cl)c2n1
Show InChI InChI=1S/C21H20ClN5/c1-21(2,3)20-23-17(14-9-5-4-6-10-14)18-19(24-20)27(26-25-18)13-15-11-7-8-12-16(15)22/h4-12H,13H2,1-3H3
PDB

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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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM322986
PNG
((2S)-3-[5-tert-butyl-7-(2-methylpyrazol-3-yl)triaz...)
Show SMILES Cn1nccc1-c1nc(nc2n(C[C@H](O)C(F)(F)F)nnc12)C(C)(C)C
Show InChI InChI=1S/C15H18F3N7O/c1-14(2,3)13-20-10(8-5-6-19-24(8)4)11-12(21-13)25(23-22-11)7-9(26)15(16,17)18/h5-6,9,26H,7H2,1-4H3/t9-/m0/s1
PDB

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



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM322997
PNG
(5-tert-butyl-7-(1H-imidazol-2-yl)-3-[(1-methyltetr...)
Show SMILES Cn1nnnc1Cn1nnc2c(nc(nc12)C(C)(C)C)-c1ncc[nH]1
Show InChI InChI=1S/C14H17N11/c1-14(2,3)13-17-9(11-15-5-6-16-11)10-12(18-13)25(22-20-10)7-8-19-21-23-24(8)4/h5-6H,7H2,1-4H3,(H,15,16)
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n/an/an/an/a 12.5n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM322998
PNG
(7-(3-benzyltriazol-4-yl)-5-tert-butyl-3-[(1-methyl...)
Show SMILES Cn1nnnc1Cn1nnc2c(nc(nc12)C(C)(C)C)-c1cnnn1Cc1ccccc1
Show InChI InChI=1S/C20H22N12/c1-20(2,3)19-22-16(14-10-21-27-31(14)11-13-8-6-5-7-9-13)17-18(23-19)32(28-25-17)12-15-24-26-29-30(15)4/h5-10H,11-12H2,1-4H3
PDB

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



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM323002
PNG
(1-[5-tert-Butyl-3-[(2-chlorophenyl)methyl]triazolo...)
Show SMILES CC(C)(C)c1nc(c2nnn(Cc3ccccc3Cl)c2n1)C1(O)CCC1
Show InChI InChI=1S/C19H22ClN5O/c1-18(2,3)17-21-15(19(26)9-6-10-19)14-16(22-17)25(24-23-14)11-12-7-4-5-8-13(12)20/h4-5,7-8,26H,6,9-11H2,1-3H3
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n/an/an/an/a 233n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM323011
PNG
(3-[5-tert-Butyl-3-[(2-chlorophenyl)methyl]triazolo...)
Show SMILES CC(C)(C)c1nc(c2nnn(Cc3ccccc3Cl)c2n1)C1(O)CS(=O)C1
Show InChI InChI=1S/C18H20ClN5O2S/c1-17(2,3)16-20-14(18(25)9-27(26)10-18)13-15(21-16)24(23-22-13)8-11-6-4-5-7-12(11)19/h4-7,25H,8-10H2,1-3H3
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n/an/an/an/a 110n/an/an/an/a



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 US10183946 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM323013
PNG
(5-tert-Butyl-3-[(2-chlorophenyl)methyl]-7-(cyclope...)
Show SMILES CC(C)(C)c1nc(C2=CCCC2)c2nnn(Cc3ccccc3Cl)c2n1
Show InChI InChI=1S/C20H22ClN5/c1-20(2,3)19-22-16(13-8-4-5-9-13)17-18(23-19)26(25-24-17)12-14-10-6-7-11-15(14)21/h6-8,10-11H,4-5,9,12H2,1-3H3
PDB

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



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 US10183946 (2019)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%