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USPatent US9512141

Compile data set for download or QSAR
Found 84 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))		BDBM260006
PNG
(US9512141, 4)
Show SMILES CC1(C)COCCN1C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C18H24F2N4O3/c1-17(2)11-26-6-5-24(17)16(25)13-7-21-14(23-9-18(19,20)10-23)15(22-13)27-8-12-3-4-12/h7,12H,3-6,8-11H2,1-2H3
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n/an/an/an/a 4.30n/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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM260009
PNG
(US9512141, 7)
Show SMILES CN(C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(C)(C)C
Show InChI InChI=1S/C17H24F2N4O2/c1-16(2,3)22(4)15(24)12-7-20-13(23-9-17(18,19)10-23)14(21-12)25-8-11-5-6-11/h7,11H,5-6,8-10H2,1-4H3
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n/an/an/an/a 3.20n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM260016
PNG
(US9512141, 14)
Show SMILES COCC(C)(C)N(C)C(=O)c1cnc(C2CC2)c(OCC2CC2)n1
Show InChI InChI=1S/C18H27N3O3/c1-18(2,11-23-4)21(3)17(22)14-9-19-15(13-7-8-13)16(20-14)24-10-12-5-6-12/h9,12-13H,5-8,10-11H2,1-4H3
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n/an/an/an/a 14.6n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM260038
PNG
(US9512141, 36)
Show SMILES NC(=O)C1CCCCN1C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1 |w:3.2|
Show InChI InChI=1S/C18H23F2N5O3/c19-18(20)9-24(10-18)15-16(28-8-11-4-5-11)23-12(7-22-15)17(27)25-6-2-1-3-13(25)14(21)26/h7,11,13H,1-6,8-10H2,(H2,21,26)
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n/an/an/an/a 217n/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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM260043
PNG
(US9512141, 41)
Show SMILES CC1(O)C[C@H](N(C1)C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(N)=O |r|
Show InChI InChI=1S/C18H23F2N5O4/c1-17(28)4-12(13(21)26)25(7-17)16(27)11-5-22-14(24-8-18(19,20)9-24)15(23-11)29-6-10-2-3-10/h5,10,12,28H,2-4,6-9H2,1H3,(H2,21,26)/t12-,17?/m0/s1
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n/an/an/an/a 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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260008
PNG
(US9512141, 6)
Show SMILES FC1(F)CN(C1)c1ncc(nc1OCC1CC1)C(=O)N1CC2CC1CO2
Show InChI InChI=1S/C17H20F2N4O3/c18-17(19)8-22(9-17)14-15(26-6-10-1-2-10)21-13(4-20-14)16(24)23-5-12-3-11(23)7-25-12/h4,10-12H,1-3,5-9H2
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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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260023
PNG
(US9512141, 21)
Show SMILES CC1(C)CCCN1C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C18H24F2N4O2/c1-17(2)6-3-7-24(17)16(25)13-8-21-14(23-10-18(19,20)11-23)15(22-13)26-9-12-4-5-12/h8,12H,3-7,9-11H2,1-2H3
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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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260024
PNG
(US9512141, 22)
Show SMILES COC(=O)[C@H]1CCCN1C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1 |r|
Show InChI InChI=1S/C18H22F2N4O4/c1-27-17(26)13-3-2-6-24(13)16(25)12-7-21-14(23-9-18(19,20)10-23)15(22-12)28-8-11-4-5-11/h7,11,13H,2-6,8-10H2,1H3/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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260036
PNG
(US9512141, 34)
Show SMILES CC1(C)CC(N(C1)C(=O)c1cnc(C2CC2)c(OCC2CC2)n1)C(N)=O
Show InChI InChI=1S/C19H26N4O3/c1-19(2)7-14(16(20)24)23(10-19)18(25)13-8-21-15(12-5-6-12)17(22-13)26-9-11-3-4-11/h8,11-12,14H,3-7,9-10H2,1-2H3,(H2,20,24)
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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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM260005
PNG
(US9512141, 3)
Show SMILES COCCN(C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(C)(C)C
Show InChI InChI=1S/C19H28F2N4O3/c1-18(2,3)25(7-8-27-4)17(26)14-9-22-15(24-11-19(20,21)12-24)16(23-14)28-10-13-5-6-13/h9,13H,5-8,10-12H2,1-4H3
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n/an/an/an/a 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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM260039
PNG
(US9512141, 37)
Show SMILES NC(=O)C1CSCCN1C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1 |w:3.2|
Show InChI InChI=1S/C17H21F2N5O3S/c18-17(19)8-23(9-17)14-15(27-6-10-1-2-10)22-11(5-21-14)16(26)24-3-4-28-7-12(24)13(20)25/h5,10,12H,1-4,6-9H2,(H2,20,25)
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n/an/an/an/a 308n/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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM260042
PNG
(US9512141, 40)
Show SMILES NC(=O)C1CC2(CC2)CN1C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C19H23F2N5O3/c20-19(21)9-25(10-19)15-16(29-7-11-1-2-11)24-12(6-23-15)17(28)26-8-18(3-4-18)5-13(26)14(22)27/h6,11,13H,1-5,7-10H2,(H2,22,27)
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n/an/an/an/a 39n/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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260027
PNG
(US9512141, 25)
Show SMILES CC(=O)OC1(C)CCN(C1)C(=O)c1cnc(C2CC2)c(OCC2CC2)n1
Show InChI InChI=1S/C19H25N3O4/c1-12(23)26-19(2)7-8-22(11-19)18(24)15-9-20-16(14-5-6-14)17(21-15)25-10-13-3-4-13/h9,13-14H,3-8,10-11H2,1-2H3
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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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260031
PNG
(US9512141, 29)
Show SMILES CC(=O)OC1(C)CCN(C1)C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C19H24F2N4O4/c1-12(26)29-18(2)5-6-24(9-18)17(27)14-7-22-15(25-10-19(20,21)11-25)16(23-14)28-8-13-3-4-13/h7,13H,3-6,8-11H2,1-2H3
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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260038
PNG
(US9512141, 36)
Show SMILES NC(=O)C1CCCCN1C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1 |w:3.2|
Show InChI InChI=1S/C18H23F2N5O3/c19-18(20)9-24(10-18)15-16(28-8-11-4-5-11)23-12(7-22-15)17(27)25-6-2-1-3-13(25)14(21)26/h7,11,13H,1-6,8-10H2,(H2,21,26)
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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260041
PNG
(US9512141, 39)
Show SMILES CC1(C)CC(N(C1)C(=O)c1cnc(C2CC2)c(OCC2CC2)n1)C(N)=O |w:4.26|
Show InChI InChI=1S/C19H26N4O3/c1-19(2)7-14(16(20)24)23(10-19)18(25)13-8-21-15(12-5-6-12)17(22-13)26-9-11-3-4-11/h8,11-12,14H,3-7,9-10H2,1-2H3,(H2,20,24)
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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM260021
PNG
(US9512141, 19)
Show SMILES NC(=O)[C@@H]1CC(F)(F)CN1C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1 |r|
Show InChI InChI=1S/C17H19F4N5O3/c18-16(19)3-11(12(22)27)26(8-16)15(28)10-4-23-13(25-6-17(20,21)7-25)14(24-10)29-5-9-1-2-9/h4,9,11H,1-3,5-8H2,(H2,22,27)/t11-/m0/s1
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n/an/an/an/a 5.70n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM260037
PNG
(US9512141, 35)
Show SMILES CC1(C)CC(N(C1)C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(N)=O
Show InChI InChI=1S/C19H25F2N5O3/c1-18(2)5-13(14(22)27)26(8-18)17(28)12-6-23-15(25-9-19(20,21)10-25)16(24-12)29-7-11-3-4-11/h6,11,13H,3-5,7-10H2,1-2H3,(H2,22,27)
PDB

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n/an/an/an/a 11.5n/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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM260044
PNG
(US9512141, 42)
Show SMILES NC(=O)[C@@H]1CC(F)(F)CN1C(=O)c1cnc(N2CC(F)(F)C2)c(OCC(F)F)n1 |r|
Show InChI InChI=1S/C15H15F6N5O3/c16-9(17)3-29-12-11(25-4-15(20,21)5-25)23-2-7(24-12)13(28)26-6-14(18,19)1-8(26)10(22)27/h2,8-9H,1,3-6H2,(H2,22,27)/t8-/m0/s1
PDB

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n/an/an/an/a 310n/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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260026
PNG
(US9512141, 24)
Show SMILES CN(C)C(=S)[C@H]1CCCN1C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1 |r|
Show InChI InChI=1S/C19H25F2N5O2S/c1-24(2)18(29)14-4-3-7-26(14)17(27)13-8-22-15(25-10-19(20,21)11-25)16(23-13)28-9-12-5-6-12/h8,12,14H,3-7,9-11H2,1-2H3/t14-/m1/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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260040
PNG
(US9512141, 38)
Show SMILES CC1(C)CC(N(C1)C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(N)=O |w:4.29|
Show InChI InChI=1S/C19H25F2N5O3/c1-18(2)5-13(14(22)27)26(8-18)17(28)12-6-23-15(25-9-19(20,21)10-25)16(24-12)29-7-11-3-4-11/h6,11,13H,3-5,7-10H2,1-2H3,(H2,22,27)
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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM260003
PNG
(US9512141, 1)
Show SMILES C[C@@H]1CCCN1C(=O)c1cnc(C2CC2)c(OCC2CC2)n1 |r|
Show InChI InChI=1S/C17H23N3O2/c1-11-3-2-8-20(11)17(21)14-9-18-15(13-6-7-13)16(19-14)22-10-12-4-5-12/h9,11-13H,2-8,10H2,1H3/t11-/m1/s1
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n/an/an/an/a 57.3n/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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM260007
PNG
(US9512141, 5)
Show SMILES C[C@H]1CCCN1C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1 |r|
Show InChI InChI=1S/C17H22F2N4O2/c1-11-3-2-6-23(11)16(24)13-7-20-14(22-9-17(18,19)10-22)15(21-13)25-8-12-4-5-12/h7,11-12H,2-6,8-10H2,1H3/t11-/m0/s1
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n/an/an/an/a 81.7n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM260012
PNG
(US9512141, 10)
Show SMILES FC1(F)CN(C1)c1ncc(nc1OCC1CC1)C(=O)N1CCOCC11CC1
Show InChI InChI=1S/C18H22F2N4O3/c19-18(20)9-23(10-18)14-15(27-8-12-1-2-12)22-13(7-21-14)16(25)24-5-6-26-11-17(24)3-4-17/h7,12H,1-6,8-11H2
PDB

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n/an/an/an/a 15n/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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM260015
PNG
(US9512141, 13)
Show SMILES CC1(C)CN(CCO1)C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C18H24F2N4O3/c1-17(2)9-23(5-6-27-17)16(25)13-7-21-14(24-10-18(19,20)11-24)15(22-13)26-8-12-3-4-12/h7,12H,3-6,8-11H2,1-2H3
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n/an/an/an/a 68.5n/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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM260022
PNG
(US9512141, 20)
Show SMILES OCCN1CCN(CC1)C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C18H25F2N5O3/c19-18(20)11-25(12-18)15-16(28-10-13-1-2-13)22-14(9-21-15)17(27)24-5-3-23(4-6-24)7-8-26/h9,13,26H,1-8,10-12H2
PDB

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n/an/an/an/a 316n/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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM260027
PNG
(US9512141, 25)
Show SMILES CC(=O)OC1(C)CCN(C1)C(=O)c1cnc(C2CC2)c(OCC2CC2)n1
Show InChI InChI=1S/C19H25N3O4/c1-12(23)26-19(2)7-8-22(11-19)18(24)15-9-20-16(14-5-6-14)17(21-15)25-10-13-3-4-13/h9,13-14H,3-8,10-11H2,1-2H3
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n/an/an/an/a 110n/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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM260033
PNG
(US9512141, 31)
Show SMILES CN(C(=O)c1cnc(N2CC(F)(F)C2)c(OCC(F)(F)F)n1)C(C)(C)C
Show InChI InChI=1S/C15H19F5N4O2/c1-13(2,3)23(4)12(25)9-5-21-10(24-6-14(16,17)7-24)11(22-9)26-8-15(18,19)20/h5H,6-8H2,1-4H3
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n/an/an/an/a 130n/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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260004
PNG
(US9512141, 2)
Show SMILES C[C@@H]1CCCN1C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1 |r|
Show InChI InChI=1S/C17H22F2N4O2/c1-11-3-2-6-23(11)16(24)13-7-20-14(22-9-17(18,19)10-22)15(21-13)25-8-12-4-5-12/h7,11-12H,2-6,8-10H2,1H3/t11-/m1/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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260006
PNG
(US9512141, 4)
Show SMILES CC1(C)COCCN1C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C18H24F2N4O3/c1-17(2)11-26-6-5-24(17)16(25)13-7-21-14(23-9-18(19,20)10-23)15(22-13)27-8-12-3-4-12/h7,12H,3-6,8-11H2,1-2H3
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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260015
PNG
(US9512141, 13)
Show SMILES CC1(C)CN(CCO1)C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C18H24F2N4O3/c1-17(2)9-23(5-6-27-17)16(25)13-7-21-14(24-10-18(19,20)11-24)15(22-13)26-8-12-3-4-12/h7,12H,3-6,8-11H2,1-2H3
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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260037
PNG
(US9512141, 35)
Show SMILES CC1(C)CC(N(C1)C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(N)=O
Show InChI InChI=1S/C19H25F2N5O3/c1-18(2)5-13(14(22)27)26(8-18)17(28)12-6-23-15(25-9-19(20,21)10-25)16(24-12)29-7-11-3-4-11/h6,11,13H,3-5,7-10H2,1-2H3,(H2,22,27)
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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM260014
PNG
(US9512141, 12)
Show SMILES COCC(C)(C)N(C)C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C18H26F2N4O3/c1-17(2,11-26-4)23(3)16(25)13-7-21-14(24-9-18(19,20)10-24)15(22-13)27-8-12-5-6-12/h7,12H,5-6,8-11H2,1-4H3
PDB

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n/an/an/an/a 9.20n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM260032
PNG
(US9512141, 30)
Show SMILES FC1(F)CN(C1)c1ncc(nc1OCC1CC1)C(=O)N1CC(F)(F)C(F)(F)C1
Show InChI InChI=1S/C16H16F6N4O2/c17-14(18)5-25(6-14)11-12(28-4-9-1-2-9)24-10(3-23-11)13(27)26-7-15(19,20)16(21,22)8-26/h3,9H,1-2,4-8H2
PDB

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n/an/an/an/a 26.3n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260011
PNG
(US9512141, 9)
Show SMILES CCN(C(C)C)C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C17H24F2N4O2/c1-4-23(11(2)3)16(24)13-7-20-14(22-9-17(18,19)10-22)15(21-13)25-8-12-5-6-12/h7,11-12H,4-6,8-10H2,1-3H3
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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260012
PNG
(US9512141, 10)
Show SMILES FC1(F)CN(C1)c1ncc(nc1OCC1CC1)C(=O)N1CCOCC11CC1
Show InChI InChI=1S/C18H22F2N4O3/c19-18(20)9-23(10-18)14-15(27-8-12-1-2-12)22-13(7-21-14)16(25)24-5-6-26-11-17(24)3-4-17/h7,12H,1-6,8-11H2
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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260019
PNG
(US9512141, 17)
Show SMILES O=C(N1CCOCC11CC1)c1cnc(C2CC2)c(OCC2CC2)n1
Show InChI InChI=1S/C18H23N3O3/c22-17(21-7-8-23-11-18(21)5-6-18)14-9-19-15(13-3-4-13)16(20-14)24-10-12-1-2-12/h9,12-13H,1-8,10-11H2
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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260025
PNG
(US9512141, 23)
Show SMILES FC1(F)CN(C1)c1ncc(nc1OCC1CC1)C(=O)N1CCOC(=O)C1
Show InChI InChI=1S/C16H18F2N4O4/c17-16(18)8-22(9-16)13-14(26-7-10-1-2-10)20-11(5-19-13)15(24)21-3-4-25-12(23)6-21/h5,10H,1-4,6-9H2
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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260032
PNG
(US9512141, 30)
Show SMILES FC1(F)CN(C1)c1ncc(nc1OCC1CC1)C(=O)N1CC(F)(F)C(F)(F)C1
Show InChI InChI=1S/C16H16F6N4O2/c17-14(18)5-25(6-14)11-12(28-4-9-1-2-9)24-10(3-23-11)13(27)26-7-15(19,20)16(21,22)8-26/h3,9H,1-2,4-8H2
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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260044
PNG
(US9512141, 42)
Show SMILES NC(=O)[C@@H]1CC(F)(F)CN1C(=O)c1cnc(N2CC(F)(F)C2)c(OCC(F)F)n1 |r|
Show InChI InChI=1S/C15H15F6N5O3/c16-9(17)3-29-12-11(25-4-15(20,21)5-25)23-2-7(24-12)13(28)26-6-14(18,19)1-8(26)10(22)27/h2,8-9H,1,3-6H2,(H2,22,27)/t8-/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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM260008
PNG
(US9512141, 6)
Show SMILES FC1(F)CN(C1)c1ncc(nc1OCC1CC1)C(=O)N1CC2CC1CO2
Show InChI InChI=1S/C17H20F2N4O3/c18-17(19)8-22(9-17)14-15(26-6-10-1-2-10)21-13(4-20-14)16(24)23-5-12-3-11(23)7-25-12/h4,10-12H,1-3,5-9H2
PDB

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n/an/an/an/a 257n/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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM260018
PNG
(US9512141, 16)
Show SMILES COC(=O)[C@@H]1CCCN1C(=O)c1cnc(C2CC2)c(OCC2CC2)n1 |r|
Show InChI InChI=1S/C18H23N3O4/c1-24-18(23)14-3-2-8-21(14)17(22)13-9-19-15(12-6-7-12)16(20-13)25-10-11-4-5-11/h9,11-12,14H,2-8,10H2,1H3/t14-/m0/s1
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n/an/an/an/a 191n/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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM260020
PNG
(US9512141, 18)
Show SMILES NC(=O)[C@@H]1CC(F)(F)CN1C(=O)c1cnc(C2CC2)c(OCC2CC2)n1 |r|
Show InChI InChI=1S/C17H20F2N4O3/c18-17(19)5-12(14(20)24)23(8-17)16(25)11-6-21-13(10-3-4-10)15(22-11)26-7-9-1-2-9/h6,9-10,12H,1-5,7-8H2,(H2,20,24)/t12-/m0/s1
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n/an/an/an/a 23.5n/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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM260023
PNG
(US9512141, 21)
Show SMILES CC1(C)CCCN1C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C18H24F2N4O2/c1-17(2)6-3-7-24(17)16(25)13-8-21-14(23-10-18(19,20)11-23)15(22-13)26-9-12-4-5-12/h8,12H,3-7,9-11H2,1-2H3
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n/an/an/an/a 4.30n/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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM260025
PNG
(US9512141, 23)
Show SMILES FC1(F)CN(C1)c1ncc(nc1OCC1CC1)C(=O)N1CCOC(=O)C1
Show InChI InChI=1S/C16H18F2N4O4/c17-16(18)8-22(9-16)13-14(26-7-10-1-2-10)20-11(5-19-13)15(24)21-3-4-25-12(23)6-21/h5,10H,1-4,6-9H2
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n/an/an/an/a 18.4n/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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM260029
PNG
(US9512141, 27)
Show SMILES CC(=O)O[C@H]1CCN(C1)C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1 |r|
Show InChI InChI=1S/C18H22F2N4O4/c1-11(25)28-13-4-5-23(7-13)17(26)14-6-21-15(24-9-18(19,20)10-24)16(22-14)27-8-12-2-3-12/h6,12-13H,2-5,7-10H2,1H3/t13-/m0/s1
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n/an/an/an/a 271n/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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM260034
PNG
(US9512141, 32)
Show SMILES CC1(C)CCCN1C(=O)c1cnc(N2CC(F)(F)C2)c(OCC(F)(F)F)n1
Show InChI InChI=1S/C16H19F5N4O2/c1-14(2)4-3-5-25(14)13(26)10-6-22-11(24-7-15(17,18)8-24)12(23-10)27-9-16(19,20)21/h6H,3-5,7-9H2,1-2H3
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n/an/an/an/a 81.2n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM260036
PNG
(US9512141, 34)
Show SMILES CC1(C)CC(N(C1)C(=O)c1cnc(C2CC2)c(OCC2CC2)n1)C(N)=O
Show InChI InChI=1S/C19H26N4O3/c1-19(2)7-14(16(20)24)23(10-19)18(25)13-8-21-15(12-5-6-12)17(22-13)26-9-11-3-4-11/h8,11-12,14H,3-7,9-10H2,1-2H3,(H2,20,24)
PDB

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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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260003
PNG
(US9512141, 1)
Show SMILES C[C@@H]1CCCN1C(=O)c1cnc(C2CC2)c(OCC2CC2)n1 |r|
Show InChI InChI=1S/C17H23N3O2/c1-11-3-2-8-20(11)17(21)14-9-18-15(13-6-7-13)16(19-14)22-10-12-4-5-12/h9,11-13H,2-8,10H2,1H3/t11-/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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260005
PNG
(US9512141, 3)
Show SMILES COCCN(C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(C)(C)C
Show InChI InChI=1S/C19H28F2N4O3/c1-18(2,3)25(7-8-27-4)17(26)14-9-22-15(24-11-19(20,21)12-24)16(23-14)28-10-13-5-6-13/h9,13H,5-8,10-12H2,1-4H3
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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260013
PNG
(US9512141, 11)
Show SMILES CCOC(=O)CN(C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(C)(C)C
Show InChI InChI=1S/C20H28F2N4O4/c1-5-29-15(27)9-26(19(2,3)4)18(28)14-8-23-16(25-11-20(21,22)12-25)17(24-14)30-10-13-6-7-13/h8,13H,5-7,9-12H2,1-4H3
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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260016
PNG
(US9512141, 14)
Show SMILES COCC(C)(C)N(C)C(=O)c1cnc(C2CC2)c(OCC2CC2)n1
Show InChI InChI=1S/C18H27N3O3/c1-18(2,11-23-4)21(3)17(22)14-9-19-15(13-7-8-13)16(20-14)24-10-12-5-6-12/h9,12-13H,5-8,10-11H2,1-4H3
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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260018
PNG
(US9512141, 16)
Show SMILES COC(=O)[C@@H]1CCCN1C(=O)c1cnc(C2CC2)c(OCC2CC2)n1 |r|
Show InChI InChI=1S/C18H23N3O4/c1-24-18(23)14-3-2-8-21(14)17(22)13-9-19-15(12-6-7-12)16(20-13)25-10-11-4-5-11/h9,11-12,14H,2-8,10H2,1H3/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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260020
PNG
(US9512141, 18)
Show SMILES NC(=O)[C@@H]1CC(F)(F)CN1C(=O)c1cnc(C2CC2)c(OCC2CC2)n1 |r|
Show InChI InChI=1S/C17H20F2N4O3/c18-17(19)5-12(14(20)24)23(8-17)16(25)11-6-21-13(10-3-4-10)15(22-11)26-7-9-1-2-9/h6,9-10,12H,1-5,7-8H2,(H2,20,24)/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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260028
PNG
(US9512141, 26)
Show SMILES FC1(F)CN(CC1(F)F)C(=O)c1cnc(C2CC2)c(OCC2CC2)n1
Show InChI InChI=1S/C16H17F4N3O2/c17-15(18)7-23(8-16(15,19)20)14(24)11-5-21-12(10-3-4-10)13(22-11)25-6-9-1-2-9/h5,9-10H,1-4,6-8H2
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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260029
PNG
(US9512141, 27)
Show SMILES CC(=O)O[C@H]1CCN(C1)C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1 |r|
Show InChI InChI=1S/C18H22F2N4O4/c1-11(25)28-13-4-5-23(7-13)17(26)14-6-21-15(24-9-18(19,20)10-24)16(22-14)27-8-12-2-3-12/h6,12-13H,2-5,7-10H2,1H3/t13-/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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260030
PNG
(US9512141, 28)
Show SMILES FC1(F)CN(C1)c1ncc(nc1OCC1CC1)C(=O)N1CCC2(COC2)C1
Show InChI InChI=1S/C18H22F2N4O3/c19-18(20)8-24(9-18)14-15(27-6-12-1-2-12)22-13(5-21-14)16(25)23-4-3-17(7-23)10-26-11-17/h5,12H,1-4,6-11H2
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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260034
PNG
(US9512141, 32)
Show SMILES CC1(C)CCCN1C(=O)c1cnc(N2CC(F)(F)C2)c(OCC(F)(F)F)n1
Show InChI InChI=1S/C16H19F5N4O2/c1-14(2)4-3-5-25(14)13(26)10-6-22-11(24-7-15(17,18)8-24)12(23-10)27-9-16(19,20)21/h6H,3-5,7-9H2,1-2H3
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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260043
PNG
(US9512141, 41)
Show SMILES CC1(O)C[C@H](N(C1)C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(N)=O |r|
Show InChI InChI=1S/C18H23F2N5O4/c1-17(28)4-12(13(21)26)25(7-17)16(27)11-5-22-14(24-8-18(19,20)9-24)15(23-11)29-6-10-2-3-10/h5,10,12,28H,2-4,6-9H2,1H3,(H2,21,26)/t12-,17?/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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM260017
PNG
(US9512141, 15)
Show SMILES CC1(C)CCCN1C(=O)c1cnc(C2CC2)c(OCC2CC2)n1
Show InChI InChI=1S/C18H25N3O2/c1-18(2)8-3-9-21(18)17(22)14-10-19-15(13-6-7-13)16(20-14)23-11-12-4-5-12/h10,12-13H,3-9,11H2,1-2H3
PDB

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n/an/an/an/a 11.2n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM260024
PNG
(US9512141, 22)
Show SMILES COC(=O)[C@H]1CCCN1C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1 |r|
Show InChI InChI=1S/C18H22F2N4O4/c1-27-17(26)13-3-2-6-24(13)16(25)12-7-21-14(23-9-18(19,20)10-23)15(22-12)28-8-11-4-5-11/h7,11,13H,2-6,8-10H2,1H3/t13-/m1/s1
PDB

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n/an/an/an/a 252n/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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM260030
PNG
(US9512141, 28)
Show SMILES FC1(F)CN(C1)c1ncc(nc1OCC1CC1)C(=O)N1CCC2(COC2)C1
Show InChI InChI=1S/C18H22F2N4O3/c19-18(20)8-24(9-18)14-15(27-6-12-1-2-12)22-13(5-21-14)16(25)23-4-3-17(7-23)10-26-11-17/h5,12H,1-4,6-11H2
PDB

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n/an/an/an/a 204n/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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM260031
PNG
(US9512141, 29)
Show SMILES CC(=O)OC1(C)CCN(C1)C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C19H24F2N4O4/c1-12(26)29-18(2)5-6-24(9-18)17(27)14-7-22-15(25-10-19(20,21)11-25)16(23-14)28-8-13-3-4-13/h7,13H,3-6,8-11H2,1-2H3
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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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM260035
PNG
(US9512141, 33)
Show SMILES NC(=O)C1CCCCN1C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C18H23F2N5O3/c19-18(20)9-24(10-18)15-16(28-8-11-4-5-11)23-12(7-22-15)17(27)25-6-2-1-3-13(25)14(21)26/h7,11,13H,1-6,8-10H2,(H2,21,26)
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n/an/an/an/a 330n/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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM260041
PNG
(US9512141, 39)
Show SMILES CC1(C)CC(N(C1)C(=O)c1cnc(C2CC2)c(OCC2CC2)n1)C(N)=O |w:4.26|
Show InChI InChI=1S/C19H26N4O3/c1-19(2)7-14(16(20)24)23(10-19)18(25)13-8-21-15(12-5-6-12)17(22-13)26-9-11-3-4-11/h8,11-12,14H,3-7,9-10H2,1-2H3,(H2,20,24)
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n/an/an/an/a 10.3n/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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260010
PNG
(US9512141, 8)
Show SMILES FC1(F)CN(C1)c1ncc(nc1OCC1CC1)C(=O)N1CCC(F)(F)C1
Show InChI InChI=1S/C16H18F4N4O2/c17-15(18)3-4-23(7-15)14(25)11-5-21-12(24-8-16(19,20)9-24)13(22-11)26-6-10-1-2-10/h5,10H,1-4,6-9H2
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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260014
PNG
(US9512141, 12)
Show SMILES COCC(C)(C)N(C)C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C18H26F2N4O3/c1-17(2,11-26-4)23(3)16(25)13-7-21-14(24-9-18(19,20)10-24)15(22-13)27-8-12-5-6-12/h7,12H,5-6,8-11H2,1-4H3
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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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260017
PNG
(US9512141, 15)
Show SMILES CC1(C)CCCN1C(=O)c1cnc(C2CC2)c(OCC2CC2)n1
Show InChI InChI=1S/C18H25N3O2/c1-18(2)8-3-9-21(18)17(22)14-10-19-15(13-6-7-13)16(20-14)23-11-12-4-5-12/h10,12-13H,3-9,11H2,1-2H3
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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260022
PNG
(US9512141, 20)
Show SMILES OCCN1CCN(CC1)C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C18H25F2N5O3/c19-18(20)11-25(12-18)15-16(28-10-13-1-2-13)22-14(9-21-15)17(27)24-5-3-23(4-6-24)7-8-26/h9,13,26H,1-8,10-12H2
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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM260004
PNG
(US9512141, 2)
Show SMILES C[C@@H]1CCCN1C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1 |r|
Show InChI InChI=1S/C17H22F2N4O2/c1-11-3-2-6-23(11)16(24)13-7-20-14(22-9-17(18,19)10-22)15(21-13)25-8-12-4-5-12/h7,11-12H,2-6,8-10H2,1H3/t11-/m1/s1
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n/an/an/an/a 4.90n/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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM260010
PNG
(US9512141, 8)
Show SMILES FC1(F)CN(C1)c1ncc(nc1OCC1CC1)C(=O)N1CCC(F)(F)C1
Show InChI InChI=1S/C16H18F4N4O2/c17-15(18)3-4-23(7-15)14(25)11-5-21-12(24-8-16(19,20)9-24)13(22-11)26-6-10-1-2-10/h5,10H,1-4,6-9H2
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n/an/an/an/a 29.8n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM260011
PNG
(US9512141, 9)
Show SMILES CCN(C(C)C)C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C17H24F2N4O2/c1-4-23(11(2)3)16(24)13-7-20-14(22-9-17(18,19)10-22)15(21-13)25-8-12-5-6-12/h7,11-12H,4-6,8-10H2,1-3H3
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n/an/an/an/a 19.9n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


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

US Patent US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM260013
PNG
(US9512141, 11)
Show SMILES CCOC(=O)CN(C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(C)(C)C
Show InChI InChI=1S/C20H28F2N4O4/c1-5-29-15(27)9-26(19(2,3)4)18(28)14-8-23-16(25-11-20(21,22)12-25)17(24-14)30-10-13-6-7-13/h8,13H,5-7,9-12H2,1-4H3
PDB

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n/an/an/an/a 6.80n/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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM260019
PNG
(US9512141, 17)
Show SMILES O=C(N1CCOCC11CC1)c1cnc(C2CC2)c(OCC2CC2)n1
Show InChI InChI=1S/C18H23N3O3/c22-17(21-7-8-23-11-18(21)5-6-18)14-9-19-15(13-3-4-13)16(20-14)24-10-12-1-2-12/h9,12-13H,1-8,10-11H2
PDB

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n/an/an/an/a 140n/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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM260026
PNG
(US9512141, 24)
Show SMILES CN(C)C(=S)[C@H]1CCCN1C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1 |r|
Show InChI InChI=1S/C19H25F2N5O2S/c1-24(2)18(29)14-4-3-7-26(14)17(27)13-8-22-15(25-10-19(20,21)11-25)16(23-13)28-9-12-5-6-12/h8,12,14H,3-7,9-11H2,1-2H3/t14-/m1/s1
PDB

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n/an/an/an/a 333n/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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM260028
PNG
(US9512141, 26)
Show SMILES FC1(F)CN(CC1(F)F)C(=O)c1cnc(C2CC2)c(OCC2CC2)n1
Show InChI InChI=1S/C16H17F4N3O2/c17-15(18)7-23(8-16(15,19)20)14(24)11-5-21-12(10-3-4-10)13(22-11)25-6-9-1-2-9/h5,9-10H,1-4,6-8H2
PDB

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n/an/an/an/a 124n/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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM260040
PNG
(US9512141, 38)
Show SMILES CC1(C)CC(N(C1)C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(N)=O |w:4.29|
Show InChI InChI=1S/C19H25F2N5O3/c1-18(2)5-13(14(22)27)26(8-18)17(28)12-6-23-15(25-9-19(20,21)10-25)16(24-12)29-7-11-3-4-11/h6,11,13H,3-5,7-10H2,1-2H3,(H2,22,27)
PDB

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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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260007
PNG
(US9512141, 5)
Show SMILES C[C@H]1CCCN1C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1 |r|
Show InChI InChI=1S/C17H22F2N4O2/c1-11-3-2-6-23(11)16(24)13-7-20-14(22-9-17(18,19)10-22)15(21-13)25-8-12-4-5-12/h7,11-12H,2-6,8-10H2,1H3/t11-/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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260009
PNG
(US9512141, 7)
Show SMILES CN(C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(C)(C)C
Show InChI InChI=1S/C17H24F2N4O2/c1-16(2,3)22(4)15(24)12-7-20-13(23-9-17(18,19)10-23)14(21-12)25-8-11-5-6-11/h7,11H,5-6,8-10H2,1-4H3
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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260021
PNG
(US9512141, 19)
Show SMILES NC(=O)[C@@H]1CC(F)(F)CN1C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1 |r|
Show InChI InChI=1S/C17H19F4N5O3/c18-16(19)3-11(12(22)27)26(8-16)15(28)10-4-23-13(25-6-17(20,21)7-25)14(24-10)29-5-9-1-2-9/h4,9,11H,1-3,5-8H2,(H2,22,27)/t11-/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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260033
PNG
(US9512141, 31)
Show SMILES CN(C(=O)c1cnc(N2CC(F)(F)C2)c(OCC(F)(F)F)n1)C(C)(C)C
Show InChI InChI=1S/C15H19F5N4O2/c1-13(2,3)23(4)12(25)9-5-21-10(24-6-14(16,17)7-24)11(22-9)26-8-15(18,19)20/h5H,6-8H2,1-4H3
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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260035
PNG
(US9512141, 33)
Show SMILES NC(=O)C1CCCCN1C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C18H23F2N5O3/c19-18(20)9-24(10-18)15-16(28-8-11-4-5-11)23-12(7-22-15)17(27)25-6-2-1-3-13(25)14(21)26/h7,11,13H,1-6,8-10H2,(H2,21,26)
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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260039
PNG
(US9512141, 37)
Show SMILES NC(=O)C1CSCCN1C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1 |w:3.2|
Show InChI InChI=1S/C17H21F2N5O3S/c18-17(19)8-23(9-17)14-15(27-6-10-1-2-10)22-11(5-21-14)16(26)24-3-4-28-7-12(24)13(20)25/h5,10,12H,1-4,6-9H2,(H2,20,25)
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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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM260042
PNG
(US9512141, 40)
Show SMILES NC(=O)C1CC2(CC2)CN1C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C19H23F2N5O3/c20-19(21)9-25(10-19)15-16(29-7-11-1-2-11)24-12(6-23-15)17(28)26-8-18(3-4-18)5-13(26)14(22)27/h6,11,13H,1-5,7-10H2,(H2,22,27)
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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 US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%