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Patent code US9694012

Compile Data Set for Download or QSAR
Found 76 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 1


(Homo sapiens (Human))		BDBM259972
PNG
(US9512132, 8)
Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2cnn(CCc3ccccc3)c2n1
Show InChI InChI=1S/C21H25F2N5/c1-20(2,3)19-25-17(27-12-10-21(22,23)14-27)16-13-24-28(18(16)26-19)11-9-15-7-5-4-6-8-15/h4-8,13H,9-12,14H2,1-3H3
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n/an/an/an/a>1.00E+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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM259976
PNG
(US9512132, 12)
Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2cnn(Cc3cccnc3Cl)c2n1
Show InChI InChI=1S/C19H21ClF2N6/c1-18(2,3)17-25-15(27-8-6-19(21,22)11-27)13-9-24-28(16(13)26-17)10-12-5-4-7-23-14(12)20/h4-5,7,9H,6,8,10-11H2,1-3H3
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n/an/an/an/a 1.60n/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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM259977
PNG
(US9512132, 13)
Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2cnn(C3CS(=O)(=O)C3)c2n1
Show InChI InChI=1S/C16H21F2N5O2S/c1-15(2,3)14-20-12(22-5-4-16(17,18)9-22)11-6-19-23(13(11)21-14)10-7-26(24,25)8-10/h6,10H,4-5,7-9H2,1-3H3
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n/an/an/an/a 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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM259977
PNG
(US9512132, 13)
Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2cnn(C3CS(=O)(=O)C3)c2n1
Show InChI InChI=1S/C16H21F2N5O2S/c1-15(2,3)14-20-12(22-5-4-16(17,18)9-22)11-6-19-23(13(11)21-14)10-7-26(24,25)8-10/h6,10H,4-5,7-9H2,1-3H3
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n/an/an/an/a>1.00E+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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM259981
PNG
(US9512132, 17)
Show SMILES Cc1nnc(Cn2ncc3c(nc(nc23)C(C)(C)C)N2CCC(F)(F)C2)n1C
Show InChI InChI=1S/C18H24F2N8/c1-11-24-25-13(26(11)5)9-28-15-12(8-21-28)14(22-16(23-15)17(2,3)4)27-7-6-18(19,20)10-27/h8H,6-7,9-10H2,1-5H3
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n/an/an/an/a 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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM259981
PNG
(US9512132, 17)
Show SMILES Cc1nnc(Cn2ncc3c(nc(nc23)C(C)(C)C)N2CCC(F)(F)C2)n1C
Show InChI InChI=1S/C18H24F2N8/c1-11-24-25-13(26(11)5)9-28-15-12(8-21-28)14(22-16(23-15)17(2,3)4)27-7-6-18(19,20)10-27/h8H,6-7,9-10H2,1-5H3
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n/an/an/an/a>1.00E+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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM77079
PNG
(US9694012, 19)
Show SMILES Cn1nncc1Cn1ncc2c(nc(nc12)C(C)(C)C)N1CCC(F)(F)C1
Show InChI InChI=1S/C17H22F2N8/c1-16(2,3)15-22-13(26-6-5-17(18,19)10-26)12-8-21-27(14(12)23-15)9-11-7-20-24-25(11)4/h7-8H,5-6,9-10H2,1-4H3
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US Patent
n/an/an/an/a>1.00E+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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM259985
PNG
(US9512132, 21)
Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2cnn(CC(=O)c3ccncc3)c2n1
Show InChI InChI=1S/C20H22F2N6O/c1-19(2,3)18-25-16(27-9-6-20(21,22)12-27)14-10-24-28(17(14)26-18)11-15(29)13-4-7-23-8-5-13/h4-5,7-8,10H,6,9,11-12H2,1-3H3
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n/an/an/an/a 3.40n/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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM260001
PNG
(US9512132, 37)
Show SMILES FC(F)(F)c1ccccc1Cn1ncc2c(nc(Cl)nc12)N1CCC(F)(F)C1
Show InChI InChI=1S/C17H13ClF5N5/c18-15-25-13(27-6-5-16(19,20)9-27)11-7-24-28(14(11)26-15)8-10-3-1-2-4-12(10)17(21,22)23/h1-4,7H,5-6,8-9H2
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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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM259967
PNG
(US9512132, 3)
Show SMILES CC(C)(C)c1nc(N2CC[C@H](O)C2)c2cnn(Cc3ccccc3Cl)c2n1 |r|
Show InChI InChI=1S/C20H24ClN5O/c1-20(2,3)19-23-17(25-9-8-14(27)12-25)15-10-22-26(18(15)24-19)11-13-6-4-5-7-16(13)21/h4-7,10,14,27H,8-9,11-12H2,1-3H3/t14-/m0/s1
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n/an/an/an/a 5.10n/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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM259968
PNG
(US9512132, 4)
Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2cnn(Cc3ccccc3Cl)c2n1
Show InChI InChI=1S/C20H22ClF2N5/c1-19(2,3)18-25-16(27-9-8-20(22,23)12-27)14-10-24-28(17(14)26-18)11-13-6-4-5-7-15(13)21/h4-7,10H,8-9,11-12H2,1-3H3
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n/an/an/an/a 4.20n/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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM259969
PNG
(US9512132, 5)
Show SMILES CCOc1nc(nc2n(Cc3ccccc3Cl)ncc12)C(C)(C)C
Show InChI InChI=1S/C18H21ClN4O/c1-5-24-16-13-10-20-23(11-12-8-6-7-9-14(12)19)15(13)21-17(22-16)18(2,3)4/h6-10H,5,11H2,1-4H3
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n/an/an/an/a 26n/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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM259969
PNG
(US9512132, 5)
Show SMILES CCOc1nc(nc2n(Cc3ccccc3Cl)ncc12)C(C)(C)C
Show InChI InChI=1S/C18H21ClN4O/c1-5-24-16-13-10-20-23(11-12-8-6-7-9-14(12)19)15(13)21-17(22-16)18(2,3)4/h6-10H,5,11H2,1-4H3
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n/an/an/an/a>1.00E+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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM259973
PNG
(US9512132, 9)
Show SMILES Cc1nonc1Cn1ncc2c(nc(nc12)C(C)(C)C)N1CCC(F)(F)C1
Show InChI InChI=1S/C17H21F2N7O/c1-10-12(24-27-23-10)8-26-14-11(7-20-26)13(21-15(22-14)16(2,3)4)25-6-5-17(18,19)9-25/h7H,5-6,8-9H2,1-4H3
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n/an/an/an/a>1.00E+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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM259974
PNG
(US9512132, 10)
Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2cnn(Cc3ccccc3S(C)(=O)=O)c2n1
Show InChI InChI=1S/C21H25F2N5O2S/c1-20(2,3)19-25-17(27-10-9-21(22,23)13-27)15-11-24-28(18(15)26-19)12-14-7-5-6-8-16(14)31(4,29)30/h5-8,11H,9-10,12-13H2,1-4H3
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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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM259974
PNG
(US9512132, 10)
Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2cnn(Cc3ccccc3S(C)(=O)=O)c2n1
Show InChI InChI=1S/C21H25F2N5O2S/c1-20(2,3)19-25-17(27-10-9-21(22,23)13-27)15-11-24-28(18(15)26-19)12-14-7-5-6-8-16(14)31(4,29)30/h5-8,11H,9-10,12-13H2,1-4H3
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n/an/an/an/a 337n/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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM259975
PNG
(US9512132, 11)
Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2cnn(CCc3ccccn3)c2n1
Show InChI InChI=1S/C20H24F2N6/c1-19(2,3)18-25-16(27-11-8-20(21,22)13-27)15-12-24-28(17(15)26-18)10-7-14-6-4-5-9-23-14/h4-6,9,12H,7-8,10-11,13H2,1-3H3
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n/an/an/an/a 19n/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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM259984
PNG
(US9512132, 20)
Show SMILES Cn1nncc1Cn1ncc2c(nc(nc12)C(C)(C)C)N1CC=C(F)C1 |t:25|
Show InChI InChI=1S/C17H21FN8/c1-17(2,3)16-21-14(25-6-5-11(18)9-25)13-8-20-26(15(13)22-16)10-12-7-19-23-24(12)4/h5,7-8H,6,9-10H2,1-4H3
PDB

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n/an/an/an/a>1.00E+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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM259988
PNG
(US9512132, 24)
Show SMILES COc1ccc(Cn2ncc3c(cc(nc23)C2CC2)N2CCC(F)(F)C2)cc1
Show InChI InChI=1S/C21H22F2N4O/c1-28-16-6-2-14(3-7-16)12-27-20-17(11-24-27)19(10-18(25-20)15-4-5-15)26-9-8-21(22,23)13-26/h2-3,6-7,10-11,15H,4-5,8-9,12-13H2,1H3
PDB

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n/an/an/an/a 18n/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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM259988
PNG
(US9512132, 24)
Show SMILES COc1ccc(Cn2ncc3c(cc(nc23)C2CC2)N2CCC(F)(F)C2)cc1
Show InChI InChI=1S/C21H22F2N4O/c1-28-16-6-2-14(3-7-16)12-27-20-17(11-24-27)19(10-18(25-20)15-4-5-15)26-9-8-21(22,23)13-26/h2-3,6-7,10-11,15H,4-5,8-9,12-13H2,1H3
PDB

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n/an/an/an/a>1.00E+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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM259990
PNG
(US9512132, 26)
Show SMILES Cc1nonc1CO[C@H]1CCN(C1)c1nc(nc2n(Cc3nonc3C)ncc12)C(C)(C)C |r|
Show InChI InChI=1S/C21H27N9O3/c1-12-16(27-32-25-12)10-30-19-15(8-22-30)18(23-20(24-19)21(3,4)5)29-7-6-14(9-29)31-11-17-13(2)26-33-28-17/h8,14H,6-7,9-11H2,1-5H3/t14-/m0/s1
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n/an/an/an/a 36n/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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM259994
PNG
(US9512132, 30)
Show SMILES CC(C)(C)c1nc(N2CC[C@H](O)C2)c2cnn(Cc3ccccc3S(C)(=O)=O)c2n1 |r|
Show InChI InChI=1S/C21H27N5O3S/c1-21(2,3)20-23-18(25-10-9-15(27)13-25)16-11-22-26(19(16)24-20)12-14-7-5-6-8-17(14)30(4,28)29/h5-8,11,15,27H,9-10,12-13H2,1-4H3/t15-/m0/s1
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n/an/an/an/a 2.40n/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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM259966
PNG
(US9512132, 2)
Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2cnn(Cc3ccccc3)c2n1
Show InChI InChI=1S/C20H23F2N5/c1-19(2,3)18-24-16(26-10-9-20(21,22)13-26)15-11-23-27(17(15)25-18)12-14-7-5-4-6-8-14/h4-8,11H,9-10,12-13H2,1-3H3
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n/an/an/an/a>1.00E+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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM259984
PNG
(US9512132, 20)
Show SMILES Cn1nncc1Cn1ncc2c(nc(nc12)C(C)(C)C)N1CC=C(F)C1 |t:25|
Show InChI InChI=1S/C17H21FN8/c1-17(2,3)16-21-14(25-6-5-11(18)9-25)13-8-20-26(15(13)22-16)10-12-7-19-23-24(12)4/h5,7-8H,6,9-10H2,1-4H3
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n/an/an/an/a 1.60n/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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM259993
PNG
(US9512132, 29)
Show SMILES CC(C)(C)c1nc(N2CC[C@H](O)C2)c2cnn(Cc3ccccc3C(F)(F)F)c2n1 |r|
Show InChI InChI=1S/C21H24F3N5O/c1-20(2,3)19-26-17(28-9-8-14(30)12-28)15-10-25-29(18(15)27-19)11-13-6-4-5-7-16(13)21(22,23)24/h4-7,10,14,30H,8-9,11-12H2,1-3H3/t14-/m0/s1
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n/an/an/an/a 1.90n/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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM259995
PNG
(US9512132, 31)
Show SMILES Cn1nnnc1Cn1ncc2c(nc(nc12)C(C)(C)C)N1CC[C@H](O)C1 |r|
Show InChI InChI=1S/C16H23N9O/c1-16(2,3)15-18-13(24-6-5-10(26)8-24)11-7-17-25(14(11)19-15)9-12-20-21-22-23(12)4/h7,10,26H,5-6,8-9H2,1-4H3/t10-/m0/s1
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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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM259996
PNG
(US9512132, 32)
Show SMILES CC(C)(C)c1nc(N2CC[C@H](O)C2)c2cnn(Cc3ncccc3Cl)c2n1 |r|
Show InChI InChI=1S/C19H23ClN6O/c1-19(2,3)18-23-16(25-8-6-12(27)10-25)13-9-22-26(17(13)24-18)11-15-14(20)5-4-7-21-15/h4-5,7,9,12,27H,6,8,10-11H2,1-3H3/t12-/m0/s1
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n/an/an/an/a 1.5n/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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM259999
PNG
(US9512132, 35)
Show SMILES COC[C@H]1CCCN1c1nc(nc2n(Cc3ccccc3C(F)(F)F)ncc12)C(C)(C)C |r|
Show InChI InChI=1S/C23H28F3N5O/c1-22(2,3)21-28-19(30-11-7-9-16(30)14-32-4)17-12-27-31(20(17)29-21)13-15-8-5-6-10-18(15)23(24,25)26/h5-6,8,10,12,16H,7,9,11,13-14H2,1-4H3/t16-/m1/s1
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n/an/an/an/a>1.00E+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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM259966
PNG
(US9512132, 2)
Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2cnn(Cc3ccccc3)c2n1
Show InChI InChI=1S/C20H23F2N5/c1-19(2,3)18-24-16(26-10-9-20(21,22)13-26)15-11-23-27(17(15)25-18)12-14-7-5-4-6-8-14/h4-8,11H,9-10,12-13H2,1-3H3
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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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM259970
PNG
(US9512132, 6)
Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2cnn(Cc3ccc(F)cc3Cl)c2n1
Show InChI InChI=1S/C20H21ClF3N5/c1-19(2,3)18-26-16(28-7-6-20(23,24)11-28)14-9-25-29(17(14)27-18)10-12-4-5-13(22)8-15(12)21/h4-5,8-9H,6-7,10-11H2,1-3H3
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n/an/an/an/a>1.00E+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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM259971
PNG
(US9512132, 7)
Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2cnn(Cc3ccccc3C(F)(F)F)c2n1
Show InChI InChI=1S/C21H22F5N5/c1-19(2,3)18-28-16(30-9-8-20(22,23)12-30)14-10-27-31(17(14)29-18)11-13-6-4-5-7-15(13)21(24,25)26/h4-7,10H,8-9,11-12H2,1-3H3
PDB

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n/an/an/an/a>1.00E+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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM259976
PNG
(US9512132, 12)
Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2cnn(Cc3cccnc3Cl)c2n1
Show InChI InChI=1S/C19H21ClF2N6/c1-18(2,3)17-25-15(27-8-6-19(21,22)11-27)13-9-24-28(16(13)26-17)10-12-5-4-7-23-14(12)20/h4-5,7,9H,6,8,10-11H2,1-3H3
PDB

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n/an/an/an/a 1.57E+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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM259980
PNG
(US9512132, 16)
Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2cnn(Cc3nnnn3C3CC3)c2n1
Show InChI InChI=1S/C18H23F2N9/c1-17(2,3)16-22-14(27-7-6-18(19,20)10-27)12-8-21-28(15(12)23-16)9-13-24-25-26-29(13)11-4-5-11/h8,11H,4-7,9-10H2,1-3H3
PDB

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n/an/an/an/a>1.00E+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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM259991
PNG
(US9512132, 27)
Show SMILES Cc1nonc1Cn1ncc2c(nc(cc12)C1CC1)N1CCC(F)(F)C1
Show InChI InChI=1S/C17H18F2N6O/c1-10-14(23-26-22-10)8-25-15-6-13(11-2-3-11)21-16(12(15)7-20-25)24-5-4-17(18,19)9-24/h6-7,11H,2-5,8-9H2,1H3
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n/an/an/an/a 43n/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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM259993
PNG
(US9512132, 29)
Show SMILES CC(C)(C)c1nc(N2CC[C@H](O)C2)c2cnn(Cc3ccccc3C(F)(F)F)c2n1 |r|
Show InChI InChI=1S/C21H24F3N5O/c1-20(2,3)19-26-17(28-9-8-14(30)12-28)15-10-25-29(18(15)27-19)11-13-6-4-5-7-16(13)21(22,23)24/h4-7,10,14,30H,8-9,11-12H2,1-3H3/t14-/m0/s1
PDB

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n/an/an/an/a>1.00E+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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM259995
PNG
(US9512132, 31)
Show SMILES Cn1nnnc1Cn1ncc2c(nc(nc12)C(C)(C)C)N1CC[C@H](O)C1 |r|
Show InChI InChI=1S/C16H23N9O/c1-16(2,3)15-18-13(24-6-5-10(26)8-24)11-7-17-25(14(11)19-15)9-12-20-21-22-23(12)4/h7,10,26H,5-6,8-9H2,1-4H3/t10-/m0/s1
PDB

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n/an/an/an/a>1.00E+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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM259997
PNG
(US9512132, 33)
Show SMILES CC(C)(C)c1nc(N2CC[C@H](O)C2)c2cnn(Cc3nnnn3C3CC3)c2n1 |r|
Show InChI InChI=1S/C18H25N9O/c1-18(2,3)17-20-15(25-7-6-12(28)9-25)13-8-19-26(16(13)21-17)10-14-22-23-24-27(14)11-4-5-11/h8,11-12,28H,4-7,9-10H2,1-3H3/t12-/m0/s1
PDB

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n/an/an/an/a>1.00E+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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM260002
PNG
(US9512132, 38)
Show SMILES CC(C)(C)COc1nc(N2CCC(F)(F)C2)c2cnn(Cc3ccccc3C(F)(F)F)c2n1
Show InChI InChI=1S/C22H24F5N5O/c1-20(2,3)13-33-19-29-17(31-9-8-21(23,24)12-31)15-10-28-32(18(15)30-19)11-14-6-4-5-7-16(14)22(25,26)27/h4-7,10H,8-9,11-13H2,1-3H3
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n/an/an/an/a 16n/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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM76982
PNG
(BDBM259965 | US9694012, 1)
Show SMILES COc1ccc(Cn2ncc3c(nc(nc23)C(C)(C)C)N2CCC(F)(F)C2)cc1
Show InChI InChI=1S/C21H25F2N5O/c1-20(2,3)19-25-17(27-10-9-21(22,23)13-27)16-11-24-28(18(16)26-19)12-14-5-7-15(29-4)8-6-14/h5-8,11H,9-10,12-13H2,1-4H3
PDB

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n/an/an/an/a>1.00E+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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM259970
PNG
(US9512132, 6)
Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2cnn(Cc3ccc(F)cc3Cl)c2n1
Show InChI InChI=1S/C20H21ClF3N5/c1-19(2,3)18-26-16(28-7-6-20(23,24)11-28)14-9-25-29(17(14)27-18)10-12-4-5-13(22)8-15(12)21/h4-5,8-9H,6-7,10-11H2,1-3H3
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n/an/an/an/a 5.90n/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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM259972
PNG
(US9512132, 8)
Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2cnn(CCc3ccccc3)c2n1
Show InChI InChI=1S/C21H25F2N5/c1-20(2,3)19-25-17(27-12-10-21(22,23)14-27)16-13-24-28(18(16)26-19)11-9-15-7-5-4-6-8-15/h4-8,13H,9-12,14H2,1-3H3
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n/an/an/an/a 5.40n/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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM259973
PNG
(US9512132, 9)
Show SMILES Cc1nonc1Cn1ncc2c(nc(nc12)C(C)(C)C)N1CCC(F)(F)C1
Show InChI InChI=1S/C17H21F2N7O/c1-10-12(24-27-23-10)8-26-14-11(7-20-26)13(21-15(22-14)16(2,3)4)25-6-5-17(18,19)9-25/h7H,5-6,8-9H2,1-4H3
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n/an/an/an/a 0.5n/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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM259982
PNG
(US9512132, 18)
Show SMILES Cc1nnc(Cn2ncc3c(nc(nc23)C(C)(C)C)N2CC=C(F)C2)n1C |t:23|
Show InChI InChI=1S/C18H23FN8/c1-11-23-24-14(25(11)5)10-27-16-13(8-20-27)15(26-7-6-12(19)9-26)21-17(22-16)18(2,3)4/h6,8H,7,9-10H2,1-5H3
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n/an/an/an/a>1.00E+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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM259987
PNG
(US9512132, 23)
Show SMILES COc1ccc(Cn2ncc3c(nc(nc23)C(C)(C)C)N2CC[C@H](O)C2)cc1 |r|
Show InChI InChI=1S/C21H27N5O2/c1-21(2,3)20-23-18(25-10-9-15(27)13-25)17-11-22-26(19(17)24-20)12-14-5-7-16(28-4)8-6-14/h5-8,11,15,27H,9-10,12-13H2,1-4H3/t15-/m0/s1
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n/an/an/an/a 5.5n/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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM259991
PNG
(US9512132, 27)
Show SMILES Cc1nonc1Cn1ncc2c(nc(cc12)C1CC1)N1CCC(F)(F)C1
Show InChI InChI=1S/C17H18F2N6O/c1-10-14(23-26-22-10)8-25-15-6-13(11-2-3-11)21-16(12(15)7-20-25)24-5-4-17(18,19)9-24/h6-7,11H,2-5,8-9H2,1H3
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n/an/an/an/a>1.00E+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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM76982
PNG
(BDBM259965 | US9694012, 1)
Show SMILES COc1ccc(Cn2ncc3c(nc(nc23)C(C)(C)C)N2CCC(F)(F)C2)cc1
Show InChI InChI=1S/C21H25F2N5O/c1-20(2,3)19-25-17(27-10-9-21(22,23)13-27)16-11-24-28(18(16)26-19)12-14-5-7-15(29-4)8-6-14/h5-8,11H,9-10,12-13H2,1-4H3
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n/an/an/an/a 4.80n/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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM259975
PNG
(US9512132, 11)
Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2cnn(CCc3ccccn3)c2n1
Show InChI InChI=1S/C20H24F2N6/c1-19(2,3)18-25-16(27-11-8-20(21,22)13-27)15-12-24-28(17(15)26-18)10-7-14-6-4-5-9-23-14/h4-6,9,12H,7-8,10-11,13H2,1-3H3
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n/an/an/an/a>1.00E+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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM259980
PNG
(US9512132, 16)
Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2cnn(Cc3nnnn3C3CC3)c2n1
Show InChI InChI=1S/C18H23F2N9/c1-17(2,3)16-22-14(27-7-6-18(19,20)10-27)12-8-21-28(15(12)23-16)9-13-24-25-26-29(13)11-4-5-11/h8,11H,4-7,9-10H2,1-3H3
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n/an/an/an/a 0.600n/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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM259982
PNG
(US9512132, 18)
Show SMILES Cc1nnc(Cn2ncc3c(nc(nc23)C(C)(C)C)N2CC=C(F)C2)n1C |t:23|
Show InChI InChI=1S/C18H23FN8/c1-11-23-24-14(25(11)5)10-27-16-13(8-20-27)15(26-7-6-12(19)9-26)21-17(22-16)18(2,3)4/h6,8H,7,9-10H2,1-5H3
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n/an/an/an/a 26n/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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM259989
PNG
(US9512132, 25)
Show SMILES Cc1nonc1Cn1ncc2c(nc(nc12)C(C)(C)C)N1CC[C@H](O)C1 |r|
Show InChI InChI=1S/C17H23N7O2/c1-10-13(22-26-21-10)9-24-15-12(7-18-24)14(23-6-5-11(25)8-23)19-16(20-15)17(2,3)4/h7,11,25H,5-6,8-9H2,1-4H3/t11-/m0/s1
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n/an/an/an/a>1.00E+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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM259997
PNG
(US9512132, 33)
Show SMILES CC(C)(C)c1nc(N2CC[C@H](O)C2)c2cnn(Cc3nnnn3C3CC3)c2n1 |r|
Show InChI InChI=1S/C18H25N9O/c1-18(2,3)17-20-15(25-7-6-12(28)9-25)13-8-19-26(16(13)21-17)10-14-22-23-24-27(14)11-4-5-11/h8,11-12,28H,4-7,9-10H2,1-3H3/t12-/m0/s1
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n/an/an/an/a 8.80n/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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260001
PNG
(US9512132, 37)
Show SMILES FC(F)(F)c1ccccc1Cn1ncc2c(nc(Cl)nc12)N1CCC(F)(F)C1
Show InChI InChI=1S/C17H13ClF5N5/c18-15-25-13(27-6-5-16(19,20)9-27)11-7-24-28(14(11)26-15)8-10-3-1-2-4-12(10)17(21,22)23/h1-4,7H,5-6,8-9H2
PDB

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n/an/an/an/a>1.00E+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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM259968
PNG
(US9512132, 4)
Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2cnn(Cc3ccccc3Cl)c2n1
Show InChI InChI=1S/C20H22ClF2N5/c1-19(2,3)18-25-16(27-9-8-20(22,23)12-27)14-10-24-28(17(14)26-18)11-13-6-4-5-7-15(13)21/h4-7,10H,8-9,11-12H2,1-3H3
PDB

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n/an/an/an/a>1.00E+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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM259978
PNG
(US9512132, 14)
Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2cnn(C3CCOC3)c2n1
Show InChI InChI=1S/C17H23F2N5O/c1-16(2,3)15-21-13(23-6-5-17(18,19)10-23)12-8-20-24(14(12)22-15)11-4-7-25-9-11/h8,11H,4-7,9-10H2,1-3H3
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n/an/an/an/a 1.30n/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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM259979
PNG
(US9512132, 15 | US9512132, 19)
Show SMILES Cn1nnnc1Cn1ncc2c(nc(nc12)C(C)(C)C)N1CCC(F)(F)C1
Show InChI InChI=1S/C16H21F2N9/c1-15(2,3)14-20-12(26-6-5-16(17,18)9-26)10-7-19-27(13(10)21-14)8-11-22-23-24-25(11)4/h7H,5-6,8-9H2,1-4H3
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n/an/an/an/a 0.900n/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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM77079
PNG
(US9694012, 19)
Show SMILES Cn1nncc1Cn1ncc2c(nc(nc12)C(C)(C)C)N1CCC(F)(F)C1
Show InChI InChI=1S/C17H22F2N8/c1-16(2,3)15-22-13(26-6-5-17(18,19)10-26)12-8-21-27(14(12)23-15)9-11-7-20-24-25(11)4/h7-8H,5-6,9-10H2,1-4H3
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n/an/an/an/a 1.40n/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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM259986
PNG
(US9512132, 22)
Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2cnn(CC(=O)c3ccccn3)c2n1
Show InChI InChI=1S/C20H22F2N6O/c1-19(2,3)18-25-16(27-9-7-20(21,22)12-27)13-10-24-28(17(13)26-18)11-15(29)14-6-4-5-8-23-14/h4-6,8,10H,7,9,11-12H2,1-3H3
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n/an/an/an/a 8.40n/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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM259987
PNG
(US9512132, 23)
Show SMILES COc1ccc(Cn2ncc3c(nc(nc23)C(C)(C)C)N2CC[C@H](O)C2)cc1 |r|
Show InChI InChI=1S/C21H27N5O2/c1-21(2,3)20-23-18(25-10-9-15(27)13-25)17-11-22-26(19(17)24-20)12-14-5-7-16(28-4)8-6-14/h5-8,11,15,27H,9-10,12-13H2,1-4H3/t15-/m0/s1
PDB

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n/an/an/an/a>1.00E+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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM259989
PNG
(US9512132, 25)
Show SMILES Cc1nonc1Cn1ncc2c(nc(nc12)C(C)(C)C)N1CC[C@H](O)C1 |r|
Show InChI InChI=1S/C17H23N7O2/c1-10-13(22-26-21-10)9-24-15-12(7-18-24)14(23-6-5-11(25)8-23)19-16(20-15)17(2,3)4/h7,11,25H,5-6,8-9H2,1-4H3/t11-/m0/s1
PDB

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n/an/an/an/a 0.400n/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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM259990
PNG
(US9512132, 26)
Show SMILES Cc1nonc1CO[C@H]1CCN(C1)c1nc(nc2n(Cc3nonc3C)ncc12)C(C)(C)C |r|
Show InChI InChI=1S/C21H27N9O3/c1-12-16(27-32-25-12)10-30-19-15(8-22-30)18(23-20(24-19)21(3,4)5)29-7-6-14(9-29)31-11-17-13(2)26-33-28-17/h8,14H,6-7,9-11H2,1-5H3/t14-/m0/s1
PDB

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n/an/an/an/a>1.00E+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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM259992
PNG
(US9512132, 28)
Show SMILES Cc1nonc1Cn1ncc2c(cc(nc12)C1CC1)N1CCC(F)(F)C1
Show InChI InChI=1S/C17H18F2N6O/c1-10-14(23-26-22-10)8-25-16-12(7-20-25)15(6-13(21-16)11-2-3-11)24-5-4-17(18,19)9-24/h6-7,11H,2-5,8-9H2,1H3
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n/an/an/an/a>1.00E+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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM259998
PNG
(US9512132, 34)
Show SMILES CC(C)(C)c1nc(N2CCC[C@@H]2CO)c2cnn(Cc3ccccc3C(F)(F)F)c2n1 |r|
Show InChI InChI=1S/C22H26F3N5O/c1-21(2,3)20-27-18(29-10-6-8-15(29)13-31)16-11-26-30(19(16)28-20)12-14-7-4-5-9-17(14)22(23,24)25/h4-5,7,9,11,15,31H,6,8,10,12-13H2,1-3H3/t15-/m1/s1
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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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM259998
PNG
(US9512132, 34)
Show SMILES CC(C)(C)c1nc(N2CCC[C@@H]2CO)c2cnn(Cc3ccccc3C(F)(F)F)c2n1 |r|
Show InChI InChI=1S/C22H26F3N5O/c1-21(2,3)20-27-18(29-10-6-8-15(29)13-31)16-11-26-30(19(16)28-20)12-14-7-4-5-9-17(14)22(23,24)25/h4-5,7,9,11,15,31H,6,8,10,12-13H2,1-3H3/t15-/m1/s1
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n/an/an/an/a>1.00E+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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM259999
PNG
(US9512132, 35)
Show SMILES COC[C@H]1CCCN1c1nc(nc2n(Cc3ccccc3C(F)(F)F)ncc12)C(C)(C)C |r|
Show InChI InChI=1S/C23H28F3N5O/c1-22(2,3)21-28-19(30-11-7-9-16(30)14-32-4)17-12-27-31(20(17)29-21)13-15-8-5-6-10-18(15)23(24,25)26/h5-6,8,10,12,16H,7,9,11,13-14H2,1-4H3/t16-/m1/s1
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n/an/an/an/a 13n/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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM260000
PNG
(US9512132, 36)
Show SMILES COC[C@H]1CCCN1c1nc(nc2n(Cc3nonc3C)ncc12)C(C)(C)C |r|
Show InChI InChI=1S/C19H27N7O2/c1-12-15(24-28-23-12)10-26-17-14(9-20-26)16(21-18(22-17)19(2,3)4)25-8-6-7-13(25)11-27-5/h9,13H,6-8,10-11H2,1-5H3/t13-/m1/s1
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n/an/an/an/a 1.40n/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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260000
PNG
(US9512132, 36)
Show SMILES COC[C@H]1CCCN1c1nc(nc2n(Cc3nonc3C)ncc12)C(C)(C)C |r|
Show InChI InChI=1S/C19H27N7O2/c1-12-15(24-28-23-12)10-26-17-14(9-20-26)16(21-18(22-17)19(2,3)4)25-8-6-7-13(25)11-27-5/h9,13H,6-8,10-11H2,1-5H3/t13-/m1/s1
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n/an/an/an/a>1.00E+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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260002
PNG
(US9512132, 38)
Show SMILES CC(C)(C)COc1nc(N2CCC(F)(F)C2)c2cnn(Cc3ccccc3C(F)(F)F)c2n1
Show InChI InChI=1S/C22H24F5N5O/c1-20(2,3)13-33-19-29-17(31-9-8-21(23,24)12-31)15-10-28-32(18(15)30-19)11-14-6-4-5-7-16(14)22(25,26)27/h4-7,10H,8-9,11-13H2,1-3H3
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n/an/an/an/a>1.00E+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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM259967
PNG
(US9512132, 3)
Show SMILES CC(C)(C)c1nc(N2CC[C@H](O)C2)c2cnn(Cc3ccccc3Cl)c2n1 |r|
Show InChI InChI=1S/C20H24ClN5O/c1-20(2,3)19-23-17(25-9-8-14(27)12-25)15-10-22-26(18(15)24-19)11-13-6-4-5-7-16(13)21/h4-7,10,14,27H,8-9,11-12H2,1-3H3/t14-/m0/s1
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n/an/an/an/a>1.00E+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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM259971
PNG
(US9512132, 7)
Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2cnn(Cc3ccccc3C(F)(F)F)c2n1
Show InChI InChI=1S/C21H22F5N5/c1-19(2,3)18-28-16(30-9-8-20(22,23)12-30)14-10-27-31(17(14)29-18)11-13-6-4-5-7-15(13)21(24,25)26/h4-7,10H,8-9,11-12H2,1-3H3
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n/an/an/an/a 1.10n/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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM259978
PNG
(US9512132, 14)
Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2cnn(C3CCOC3)c2n1
Show InChI InChI=1S/C17H23F2N5O/c1-16(2,3)15-21-13(23-6-5-17(18,19)10-23)12-8-20-24(14(12)22-15)11-4-7-25-9-11/h8,11H,4-7,9-10H2,1-3H3
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n/an/an/an/a>1.00E+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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM259979
PNG
(US9512132, 15 | US9512132, 19)
Show SMILES Cn1nnnc1Cn1ncc2c(nc(nc12)C(C)(C)C)N1CCC(F)(F)C1
Show InChI InChI=1S/C16H21F2N9/c1-15(2,3)14-20-12(26-6-5-16(17,18)9-26)10-7-19-27(13(10)21-14)8-11-22-23-24-25(11)4/h7H,5-6,8-9H2,1-4H3
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n/an/an/an/a>1.00E+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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM259985
PNG
(US9512132, 21)
Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2cnn(CC(=O)c3ccncc3)c2n1
Show InChI InChI=1S/C20H22F2N6O/c1-19(2,3)18-25-16(27-9-6-20(21,22)12-27)14-10-24-28(17(14)26-18)11-15(29)13-4-7-23-8-5-13/h4-5,7-8,10H,6,9,11-12H2,1-3H3
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n/an/an/an/a>1.00E+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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM259986
PNG
(US9512132, 22)
Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2cnn(CC(=O)c3ccccn3)c2n1
Show InChI InChI=1S/C20H22F2N6O/c1-19(2,3)18-25-16(27-9-7-20(21,22)12-27)13-10-24-28(17(13)26-18)11-15(29)14-6-4-5-8-23-14/h4-6,8,10H,7,9,11-12H2,1-3H3
PDB

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n/an/an/an/a>1.00E+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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM259992
PNG
(US9512132, 28)
Show SMILES Cc1nonc1Cn1ncc2c(cc(nc12)C1CC1)N1CCC(F)(F)C1
Show InChI InChI=1S/C17H18F2N6O/c1-10-14(23-26-22-10)8-25-16-12(7-20-25)15(6-13(21-16)11-2-3-11)24-5-4-17(18,19)9-24/h6-7,11H,2-5,8-9H2,1H3
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n/an/an/an/a 1.90n/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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM259994
PNG
(US9512132, 30)
Show SMILES CC(C)(C)c1nc(N2CC[C@H](O)C2)c2cnn(Cc3ccccc3S(C)(=O)=O)c2n1 |r|
Show InChI InChI=1S/C21H27N5O3S/c1-21(2,3)20-23-18(25-10-9-15(27)13-25)16-11-22-26(19(16)24-20)12-14-7-5-6-8-17(14)30(4,28)29/h5-8,11,15,27H,9-10,12-13H2,1-4H3/t15-/m0/s1
PDB

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n/an/an/an/a>1.00E+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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM259996
PNG
(US9512132, 32)
Show SMILES CC(C)(C)c1nc(N2CC[C@H](O)C2)c2cnn(Cc3ncccc3Cl)c2n1 |r|
Show InChI InChI=1S/C19H23ClN6O/c1-19(2,3)18-23-16(25-8-6-12(27)10-25)13-9-22-26(17(13)24-18)11-15-14(20)5-4-7-21-15/h4-5,7,9,12,27H,6,8,10-11H2,1-3H3/t12-/m0/s1
PDB

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n/an/an/an/a>1.00E+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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%