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Patent code US9682955

Compile Data Set for Download or QSAR

Found 280 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))		BDBM143569
PNG
(US9682955, 53)
Show SMILES OCCCCOc1nc(NCc2cccc(c2)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C33H28Cl2F3N3O2/c34-26-11-6-22(7-12-26)30(23-8-13-27(35)14-9-23)24-10-15-29-28(19-24)31(41-32(40-29)43-17-2-1-16-42)39-20-21-4-3-5-25(18-21)33(36,37)38/h3-15,18-19,30,42H,1-2,16-17,20H2,(H,39,40,41)
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n/an/an/an/a 42n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM143569
PNG
(US9682955, 53)
Show SMILES OCCCCOc1nc(NCc2cccc(c2)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C33H28Cl2F3N3O2/c34-26-11-6-22(7-12-26)30(23-8-13-27(35)14-9-23)24-10-15-29-28(19-24)31(41-32(40-29)43-17-2-1-16-42)39-20-21-4-3-5-25(18-21)33(36,37)38/h3-15,18-19,30,42H,1-2,16-17,20H2,(H,39,40,41)
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n/an/an/an/a 3.70E+3n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM143563
PNG
(US9682955, 57)
Show SMILES NC(=O)c1cccc(CNc2ncnc3ccc(cc23)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C29H22Cl2N4O/c30-23-9-4-19(5-10-23)27(20-6-11-24(31)12-7-20)21-8-13-26-25(15-21)29(35-17-34-26)33-16-18-2-1-3-22(14-18)28(32)36/h1-15,17,27H,16H2,(H2,32,36)(H,33,34,35)
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n/an/an/an/a 215n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM143563
PNG
(US9682955, 57)
Show SMILES NC(=O)c1cccc(CNc2ncnc3ccc(cc23)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C29H22Cl2N4O/c30-23-9-4-19(5-10-23)27(20-6-11-24(31)12-7-20)21-8-13-26-25(15-21)29(35-17-34-26)33-16-18-2-1-3-22(14-18)28(32)36/h1-15,17,27H,16H2,(H2,32,36)(H,33,34,35)
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n/an/an/an/a 4.95E+3n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM143509
PNG
(US9682955, 78)
Show SMILES OCCS(=O)(=O)N1CCC(CC1)Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H28Cl2N4O3S/c29-22-6-1-19(2-7-22)27(20-3-8-23(30)9-4-20)21-5-10-26-25(17-21)28(32-18-31-26)33-24-11-13-34(14-12-24)38(36,37)16-15-35/h1-10,17-18,24,27,35H,11-16H2,(H,31,32,33)
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n/an/an/an/a 16n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM143535
PNG
(US9682955, 80)
Show SMILES OC(=O)CCC(=O)N1CCC(CC1)Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C30H28Cl2N4O3/c31-22-6-1-19(2-7-22)29(20-3-8-23(32)9-4-20)21-5-10-26-25(17-21)30(34-18-33-26)35-24-13-15-36(16-14-24)27(37)11-12-28(38)39/h1-10,17-18,24,29H,11-16H2,(H,38,39)(H,33,34,35)
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n/an/an/an/a 6.05E+3n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM143551
PNG
(US9682955, 84)
Show SMILES OCCNC(=O)c1ccc(cc1)N1CCC(CC1)Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C35H33Cl2N5O2/c36-27-8-1-23(2-9-27)33(24-3-10-28(37)11-4-24)26-7-14-32-31(21-26)34(40-22-39-32)41-29-15-18-42(19-16-29)30-12-5-25(6-13-30)35(44)38-17-20-43/h1-14,21-22,29,33,43H,15-20H2,(H,38,44)(H,39,40,41)
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n/an/an/an/a 26n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM143642
PNG
(US9682955, 87)
Show SMILES NC(=O)CC(=O)N1CCC(CC1)Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H27Cl2N5O2/c30-21-6-1-18(2-7-21)28(19-3-8-22(31)9-4-19)20-5-10-25-24(15-20)29(34-17-33-25)35-23-11-13-36(14-12-23)27(38)16-26(32)37/h1-10,15,17,23,28H,11-14,16H2,(H2,32,37)(H,33,34,35)
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n/an/an/an/a 2.92E+3n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM143521
PNG
(US9682955, 91)
Show SMILES COCCOc1nc(NCc2ccc(cc2)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C32H26Cl2F3N3O2/c1-41-16-17-42-31-39-28-15-8-23(29(21-4-11-25(33)12-5-21)22-6-13-26(34)14-7-22)18-27(28)30(40-31)38-19-20-2-9-24(10-3-20)32(35,36)37/h2-15,18,29H,16-17,19H2,1H3,(H,38,39,40)
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n/an/an/an/a 30n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM143521
PNG
(US9682955, 91)
Show SMILES COCCOc1nc(NCc2ccc(cc2)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C32H26Cl2F3N3O2/c1-41-16-17-42-31-39-28-15-8-23(29(21-4-11-25(33)12-5-21)22-6-13-26(34)14-7-22)18-27(28)30(40-31)38-19-20-2-9-24(10-3-20)32(35,36)37/h2-15,18,29H,16-17,19H2,1H3,(H,38,39,40)
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n/an/an/an/a>1.00E+4n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM143648
PNG
(US9682955, 95)
Show SMILES OC(=O)c1cccc(c1)N1CCC(CC1)Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C33H28Cl2N4O2/c34-25-9-4-21(5-10-25)31(22-6-11-26(35)12-7-22)23-8-13-30-29(19-23)32(37-20-36-30)38-27-14-16-39(17-15-27)28-3-1-2-24(18-28)33(40)41/h1-13,18-20,27,31H,14-17H2,(H,40,41)(H,36,37,38)
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n/an/an/an/a 818n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM143648
PNG
(US9682955, 95)
Show SMILES OC(=O)c1cccc(c1)N1CCC(CC1)Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C33H28Cl2N4O2/c34-25-9-4-21(5-10-25)31(22-6-11-26(35)12-7-22)23-8-13-30-29(19-23)32(37-20-36-30)38-27-14-16-39(17-15-27)28-3-1-2-24(18-28)33(40)41/h1-13,18-20,27,31H,14-17H2,(H,40,41)(H,36,37,38)
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n/an/an/an/a 3.16E+3n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM143649
PNG
(US9682955, 96)
Show SMILES NC(=O)c1cccc(c1)N1CCC(CC1)Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C33H29Cl2N5O/c34-25-9-4-21(5-10-25)31(22-6-11-26(35)12-7-22)23-8-13-30-29(19-23)33(38-20-37-30)39-27-14-16-40(17-15-27)28-3-1-2-24(18-28)32(36)41/h1-13,18-20,27,31H,14-17H2,(H2,36,41)(H,37,38,39)
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n/an/an/an/a 23n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM143649
PNG
(US9682955, 96)
Show SMILES NC(=O)c1cccc(c1)N1CCC(CC1)Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C33H29Cl2N5O/c34-25-9-4-21(5-10-25)31(22-6-11-26(35)12-7-22)23-8-13-30-29(19-23)33(38-20-37-30)39-27-14-16-40(17-15-27)28-3-1-2-24(18-28)32(36)41/h1-13,18-20,27,31H,14-17H2,(H2,36,41)(H,37,38,39)
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n/an/an/an/a 218n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM143498
PNG
(US9682955, 106)
Show SMILES CC(=O)Nc1nc(NC2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H26Cl2F3N5O3S/c1-17(40)35-28-37-25-11-6-20(26(18-2-7-21(30)8-3-18)19-4-9-22(31)10-5-19)16-24(25)27(38-28)36-23-12-14-39(15-13-23)43(41,42)29(32,33)34/h2-11,16,23,26H,12-15H2,1H3,(H2,35,36,37,38,40)
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n/an/an/an/a 70n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM143655
PNG
(US9682955, 109)
Show SMILES Clc1ccc(cc1)C(c1ccc(Cl)cc1)c1ccc2ncnc(NC3CCN(CC3)S(=O)(=O)c3ccccc3)c2c1
Show InChI InChI=1S/C32H28Cl2N4O2S/c33-25-11-6-22(7-12-25)31(23-8-13-26(34)14-9-23)24-10-15-30-29(20-24)32(36-21-35-30)37-27-16-18-38(19-17-27)41(39,40)28-4-2-1-3-5-28/h1-15,20-21,27,31H,16-19H2,(H,35,36,37)
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n/an/an/an/a 4n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM143503
PNG
(US9682955, 112)
Show SMILES C[C@H](Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C30H22Cl2F3N3/c1-18(21-3-2-4-23(15-21)30(33,34)35)38-29-26-16-22(9-14-27(26)36-17-37-29)28(19-5-10-24(31)11-6-19)20-7-12-25(32)13-8-20/h2-18,28H,1H3,(H,36,37,38)/t18-/m0/s1
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n/an/an/an/a 4.70E+3n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM143516
PNG
(US9682955, 118)
Show SMILES Clc1ccc(cc1)C(c1ccc(Cl)cc1)c1ccc2ncnc(NC3CCC(CC3)(C#N)c3ccccc3)c2c1 |(-8.13,-6.15,;-6.8,-5.38,;-5.46,-6.15,;-4.13,-5.38,;-4.13,-3.84,;-5.46,-3.07,;-6.8,-3.84,;-2.79,-3.07,;-2.79,-1.53,;-4.13,-.76,;-4.13,.78,;-2.79,1.55,;-2.79,3.09,;-1.46,.78,;-1.46,-.76,;-1.46,-3.84,;-1.46,-5.38,;-.13,-6.15,;1.21,-5.38,;2.54,-6.15,;3.87,-5.38,;3.87,-3.84,;2.54,-3.07,;2.54,-1.53,;3.87,-.76,;3.87,.78,;5.21,1.55,;6.54,.78,;6.54,-.76,;5.21,-1.53,;8.08,.83,;9.62,.89,;7.36,2.08,;6.63,3.44,;7.45,4.75,;8.99,4.7,;9.71,3.34,;8.9,2.03,;1.21,-3.84,;-.13,-3.07,)|
Show InChI InChI=1S/C34H28Cl2N4/c35-27-11-6-23(7-12-27)32(24-8-13-28(36)14-9-24)25-10-15-31-30(20-25)33(39-22-38-31)40-29-16-18-34(21-37,19-17-29)26-4-2-1-3-5-26/h1-15,20,22,29,32H,16-19H2,(H,38,39,40)
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n/an/an/an/a 11n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM143476
PNG
(US9682955, 134)
Show SMILES FC(F)(F)S(=O)(=O)c1ccc(Nc2ncnc3ccc(cc23)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C28H18Cl2F3N3O2S/c29-20-6-1-17(2-7-20)26(18-3-8-21(30)9-4-18)19-5-14-25-24(15-19)27(35-16-34-25)36-22-10-12-23(13-11-22)39(37,38)28(31,32)33/h1-16,26H,(H,34,35,36)
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n/an/an/an/a>1.00E+4n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM143487
PNG
(US9682955, 136)
Show SMILES FC(F)(F)c1cccc(CNc2ncnc3ccc(cc23)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C29H20Cl2F3N3/c30-23-9-4-19(5-10-23)27(20-6-11-24(31)12-7-20)21-8-13-26-25(15-21)28(37-17-36-26)35-16-18-2-1-3-22(14-18)29(32,33)34/h1-15,17,27H,16H2,(H,35,36,37)
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n/an/an/an/a>1.00E+4n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM143481
PNG
(US9682955, 143)
Show SMILES FC(F)(F)c1ccc(Nc2ncnc3ccc(cc23)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C28H18Cl2F3N3/c29-21-8-1-17(2-9-21)26(18-3-10-22(30)11-4-18)19-5-14-25-24(15-19)27(35-16-34-25)36-23-12-6-20(7-13-23)28(31,32)33/h1-16,26H,(H,34,35,36)
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n/an/an/an/a>1.00E+4n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM143489
PNG
(US9682955, 200)
Show SMILES FC(F)(F)S(=O)(=O)N1CCC(CC1)Nc1nc(Cl)nc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H22Cl3F3N4O2S/c28-19-6-1-16(2-7-19)24(17-3-8-20(29)9-4-17)18-5-10-23-22(15-18)25(36-26(30)35-23)34-21-11-13-37(14-12-21)40(38,39)27(31,32)33/h1-10,15,21,24H,11-14H2,(H,34,35,36)
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n/an/an/an/a 9n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM143621
PNG
(US9682955, 5)
Show SMILES OC(=O)c1ccc(CCNc2ncnc3ccc(cc23)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C30H23Cl2N3O2/c31-24-10-5-20(6-11-24)28(21-7-12-25(32)13-8-21)23-9-14-27-26(17-23)29(35-18-34-27)33-16-15-19-1-3-22(4-2-19)30(36)37/h1-14,17-18,28H,15-16H2,(H,36,37)(H,33,34,35)
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n/an/an/an/a 265n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM143605
PNG
(US9682955, 7)
Show SMILES CCCCCCOC(=O)NC(=N)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C40H42Cl2N6O4S/c1-2-3-4-5-24-52-40(49)47-38(43)29-10-17-34(18-11-29)53(50,51)48-22-20-33(21-23-48)46-39-35-25-30(12-19-36(35)44-26-45-39)37(27-6-13-31(41)14-7-27)28-8-15-32(42)16-9-28/h6-19,25-26,33,37H,2-5,20-24H2,1H3,(H2,43,47,49)(H,44,45,46)
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n/an/an/an/a 72n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM143612
PNG
(US9682955, 9)
Show SMILES FC(F)(F)S(=O)(=O)NC1CCN(C1)c1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H21Cl2F3N4O2S/c27-19-6-1-16(2-7-19)24(17-3-8-20(28)9-4-17)18-5-10-23-22(13-18)25(33-15-32-23)35-12-11-21(14-35)34-38(36,37)26(29,30)31/h1-10,13,15,21,24,34H,11-12,14H2
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n/an/an/an/a 191n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM143608
PNG
(US9682955, 11)
Show SMILES Clc1ccc(cc1)C(c1ccc(Cl)cc1)c1ccc2ncnc(NC3CCN(CCc4ccccc4)CC3)c2c1
Show InChI InChI=1S/C34H32Cl2N4/c35-28-11-6-25(7-12-28)33(26-8-13-29(36)14-9-26)27-10-15-32-31(22-27)34(38-23-37-32)39-30-17-20-40(21-18-30)19-16-24-4-2-1-3-5-24/h1-15,22-23,30,33H,16-21H2,(H,37,38,39)
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n/an/an/an/a 124n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM143611
PNG
(US9682955, 14)
Show SMILES OC(=O)c1ccc(CN2CCC(C2)Nc2ncnc3ccc(cc23)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C33H28Cl2N4O2/c34-26-10-5-22(6-11-26)31(23-7-12-27(35)13-8-23)25-9-14-30-29(17-25)32(37-20-36-30)38-28-15-16-39(19-28)18-21-1-3-24(4-2-21)33(40)41/h1-14,17,20,28,31H,15-16,18-19H2,(H,40,41)(H,36,37,38)
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n/an/an/an/a 8.70E+3n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM143607
PNG
(US9682955, 18)
Show SMILES OC(=O)c1csc(CN2CCC(CC2)Nc2ncnc3ccc(cc23)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C32H28Cl2N4O2S/c33-24-6-1-20(2-7-24)30(21-3-8-25(34)9-4-21)22-5-10-29-28(16-22)31(36-19-35-29)37-26-11-13-38(14-12-26)17-27-15-23(18-41-27)32(39)40/h1-10,15-16,18-19,26,30H,11-14,17H2,(H,39,40)(H,35,36,37)
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n/an/an/an/a 6.26E+3n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM143597
PNG
(US9682955, 19)
Show SMILES FC(F)(F)S(=O)(=O)N1CCC(CC1)Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C28H23ClF3N5O2S/c29-22-8-5-20(6-9-22)26(19-3-1-18(16-33)2-4-19)21-7-10-25-24(15-21)27(35-17-34-25)36-23-11-13-37(14-12-23)40(38,39)28(30,31)32/h1-10,15,17,23,26H,11-14H2,(H,34,35,36)
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n/an/an/an/a 6n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM143593
PNG
(US9682955, 25)
Show SMILES OC(=O)c1ccc(s1)S(=O)(=O)N1CCC(CC1)Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C31H26Cl2N4O4S2/c32-22-6-1-19(2-7-22)29(20-3-8-23(33)9-4-20)21-5-10-26-25(17-21)30(35-18-34-26)36-24-13-15-37(16-14-24)43(40,41)28-12-11-27(42-28)31(38)39/h1-12,17-18,24,29H,13-16H2,(H,38,39)(H,34,35,36)
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n/an/an/an/a 9n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM143587
PNG
(US9682955, 28)
Show SMILES Oc1cccc(CN2CCC(CC2)Nc2ncnc3ccc(cc23)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C33H30Cl2N4O/c34-26-9-4-23(5-10-26)32(24-6-11-27(35)12-7-24)25-8-13-31-30(19-25)33(37-21-36-31)38-28-14-16-39(17-15-28)20-22-2-1-3-29(40)18-22/h1-13,18-19,21,28,32,40H,14-17,20H2,(H,36,37,38)
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n/an/an/an/a>1.00E+4n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM143582
PNG
(US9682955, 33)
Show SMILES CS(=O)(=O)NCCOc1nc(NC2CCN(CC2)S(=O)(=O)c2ccc(cc2)C(O)=O)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C36H35Cl2N5O7S2/c1-51(46,47)39-18-21-50-36-41-32-15-8-26(33(23-2-9-27(37)10-3-23)24-4-11-28(38)12-5-24)22-31(32)34(42-36)40-29-16-19-43(20-17-29)52(48,49)30-13-6-25(7-14-30)35(44)45/h2-15,22,29,33,39H,16-21H2,1H3,(H,44,45)(H,40,41,42)
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n/an/an/an/a 227n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM143629
PNG
(US9682955, 38)
Show SMILES NC(=O)c1ccc(CN2CCC(CC2)Nc2ncnc3ccc(cc23)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C34H31Cl2N5O/c35-27-10-5-23(6-11-27)32(24-7-12-28(36)13-8-24)26-9-14-31-30(19-26)34(39-21-38-31)40-29-15-17-41(18-16-29)20-22-1-3-25(4-2-22)33(37)42/h1-14,19,21,29,32H,15-18,20H2,(H2,37,42)(H,38,39,40)
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n/an/an/an/a 3.57E+3n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM143579
PNG
(US9682955, 46)
Show SMILES COc1nc(NC2CCN(CC2)S(=O)(=O)c2ccc(cc2)C(O)=O)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C34H30Cl2N4O5S/c1-45-34-38-30-15-8-24(31(21-2-9-25(35)10-3-21)22-4-11-26(36)12-5-22)20-29(30)32(39-34)37-27-16-18-40(19-17-27)46(43,44)28-13-6-23(7-14-28)33(41)42/h2-15,20,27,31H,16-19H2,1H3,(H,41,42)(H,37,38,39)
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n/an/an/an/a 31n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM143579
PNG
(US9682955, 46)
Show SMILES COc1nc(NC2CCN(CC2)S(=O)(=O)c2ccc(cc2)C(O)=O)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C34H30Cl2N4O5S/c1-45-34-38-30-15-8-24(31(21-2-9-25(35)10-3-21)22-4-11-26(36)12-5-22)20-29(30)32(39-34)37-27-16-18-40(19-17-27)46(43,44)28-13-6-23(7-14-28)33(41)42/h2-15,20,27,31H,16-19H2,1H3,(H,41,42)(H,37,38,39)
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n/an/an/an/a 616n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM143637
PNG
(US9682955, 63)
Show SMILES Fc1cccc(CNc2ncnc3ccc(cc23)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C28H20Cl2FN3/c29-22-9-4-19(5-10-22)27(20-6-11-23(30)12-7-20)21-8-13-26-25(15-21)28(34-17-33-26)32-16-18-2-1-3-24(31)14-18/h1-15,17,27H,16H2,(H,32,33,34)
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n/an/an/an/a 1.20E+3n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM143559
PNG
(US9682955, 67)
Show SMILES Fc1ccc(cc1)C(c1ccc(F)cc1)c1ccc2ncnc(NC3CCN(CC3)c3ccccc3)c2c1
Show InChI InChI=1S/C32H28F2N4/c33-25-11-6-22(7-12-25)31(23-8-13-26(34)14-9-23)24-10-15-30-29(20-24)32(36-21-35-30)37-27-16-18-38(19-17-27)28-4-2-1-3-5-28/h1-15,20-21,27,31H,16-19H2,(H,35,36,37)
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n/an/an/an/a 1.15E+3n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM143555
PNG
(US9682955, 68)
Show SMILES OC(=O)c1ccc(cc1)C(=O)N1CCC(CC1)Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C34H28Cl2N4O3/c35-26-10-5-21(6-11-26)31(22-7-12-27(36)13-8-22)25-9-14-30-29(19-25)32(38-20-37-30)39-28-15-17-40(18-16-28)33(41)23-1-3-24(4-2-23)34(42)43/h1-14,19-20,28,31H,15-18H2,(H,42,43)(H,37,38,39)
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n/an/an/an/a>1.00E+4n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM143534
PNG
(US9682955, 81)
Show SMILES CCOC(=O)CCC(=O)N1CCC(CC1)Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C32H32Cl2N4O3/c1-2-41-30(40)14-13-29(39)38-17-15-26(16-18-38)37-32-27-19-23(7-12-28(27)35-20-36-32)31(21-3-8-24(33)9-4-21)22-5-10-25(34)11-6-22/h3-12,19-20,26,31H,2,13-18H2,1H3,(H,35,36,37)
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n/an/an/an/a 452n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM143647
PNG
(US9682955, 89)
Show SMILES CCOC(=O)CC(=O)N1CCC(CC1)Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C31H30Cl2N4O3/c1-2-40-29(39)18-28(38)37-15-13-25(14-16-37)36-31-26-17-22(7-12-27(26)34-19-35-31)30(20-3-8-23(32)9-4-20)21-5-10-24(33)11-6-21/h3-12,17,19,25,30H,2,13-16,18H2,1H3,(H,34,35,36)
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n/an/an/an/a 25n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM143538
PNG
(US9682955, 93)
Show SMILES OC(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C33H28Cl2N4O4S/c34-25-8-1-21(2-9-25)31(22-3-10-26(35)11-4-22)24-7-14-30-29(19-24)32(37-20-36-30)38-27-15-17-39(18-16-27)44(42,43)28-12-5-23(6-13-28)33(40)41/h1-14,19-20,27,31H,15-18H2,(H,40,41)(H,36,37,38)
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n/an/an/an/a 14n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM143515
PNG
(US9682955, 99)
Show SMILES OC1(CCC(CC1)Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccccc1 |(6,3.08,;4.67,2.31,;6,1.54,;6,,;4.67,-.77,;3.33,,;3.33,1.54,;4.67,-2.31,;4.67,-3.85,;6,-4.62,;6,-6.16,;4.67,-6.93,;3.33,-6.16,;2,-6.93,;.67,-6.16,;.67,-4.62,;2,-3.85,;3.33,-4.62,;-.67,-3.85,;-2,-4.62,;-3.33,-3.85,;-4.67,-4.62,;-4.67,-6.16,;-6,-6.93,;-3.33,-6.93,;-2,-6.16,;-.67,-2.31,;.67,-1.54,;.67,,;-.67,.77,;-.67,2.31,;-2,,;-2,-1.54,;4.67,3.85,;6,4.62,;6,6.16,;4.67,6.93,;3.33,6.16,;3.33,4.62,)|
Show InChI InChI=1S/C33H29Cl2N3O/c34-26-11-6-22(7-12-26)31(23-8-13-27(35)14-9-23)24-10-15-30-29(20-24)32(37-21-36-30)38-28-16-18-33(39,19-17-28)25-4-2-1-3-5-25/h1-15,20-21,28,31,39H,16-19H2,(H,36,37,38)
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n/an/an/an/a 1n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM143654
PNG
(US9682955, 101)
Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N1CCC(CC1)Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C33H28Cl2N4O4S/c34-25-9-4-21(5-10-25)31(22-6-11-26(35)12-7-22)23-8-13-30-29(19-23)32(37-20-36-30)38-27-14-16-39(17-15-27)44(42,43)28-3-1-2-24(18-28)33(40)41/h1-13,18-20,27,31H,14-17H2,(H,40,41)(H,36,37,38)
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n/an/an/an/a 106n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM143492
PNG
(US9682955, 103)
Show SMILES COc1nc(NC2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H25Cl2F3N4O3S/c1-40-27-35-24-11-6-19(25(17-2-7-20(29)8-3-17)18-4-9-21(30)10-5-18)16-23(24)26(36-27)34-22-12-14-37(15-13-22)41(38,39)28(31,32)33/h2-11,16,22,25H,12-15H2,1H3,(H,34,35,36)
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n/an/an/an/a>1.00E+4n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM143498
PNG
(US9682955, 106)
Show SMILES CC(=O)Nc1nc(NC2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H26Cl2F3N5O3S/c1-17(40)35-28-37-25-11-6-20(26(18-2-7-21(30)8-3-18)19-4-9-22(31)10-5-19)16-24(25)27(38-28)36-23-12-14-39(15-13-23)43(41,42)29(32,33)34/h2-11,16,23,26H,12-15H2,1H3,(H2,35,36,37,38,40)
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n/an/an/an/a 5.70E+3n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM143491
PNG
(US9682955, 108)
Show SMILES FC(F)(F)S(=O)(=O)N1CCC(CC1)Nc1nc(nc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C1CC1
Show InChI InChI=1S/C30H27Cl2F3N4O2S/c31-22-8-3-18(4-9-22)27(19-5-10-23(32)11-6-19)21-7-12-26-25(17-21)29(38-28(37-26)20-1-2-20)36-24-13-15-39(16-14-24)42(40,41)30(33,34)35/h3-12,17,20,24,27H,1-2,13-16H2,(H,36,37,38)
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n/an/an/an/a>1.00E+4n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM143490
PNG
(US9682955, 114)
Show SMILES Oc1nc(NC2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H23Cl2F3N4O3S/c28-19-6-1-16(2-7-19)24(17-3-8-20(29)9-4-17)18-5-10-23-22(15-18)25(35-26(37)34-23)33-21-11-13-36(14-12-21)40(38,39)27(30,31)32/h1-10,15,21,24H,11-14H2,(H2,33,34,35,37)
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n/an/an/an/a 32n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM143659
PNG
(US9682955, 116)
Show SMILES CC(Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C30H22Cl2F3N3/c1-18(19-2-9-23(10-3-19)30(33,34)35)38-29-26-16-22(8-15-27(26)36-17-37-29)28(20-4-11-24(31)12-5-20)21-6-13-25(32)14-7-21/h2-18,28H,1H3,(H,36,37,38)
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n/an/an/an/a 8n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM143659
PNG
(US9682955, 116)
Show SMILES CC(Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C30H22Cl2F3N3/c1-18(19-2-9-23(10-3-19)30(33,34)35)38-29-26-16-22(8-15-27(26)36-17-37-29)28(20-4-11-24(31)12-5-20)21-6-13-25(32)14-7-21/h2-18,28H,1H3,(H,36,37,38)
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n/an/an/an/a 2.50E+3n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM143660
PNG
(US9682955, 119)
Show SMILES Clc1ccc(cc1)C(c1ccc(Cl)cc1)c1ccc2ncnc(NC3CCN(CC3)C(=O)c3ccccc3)c2c1
Show InChI InChI=1S/C33H28Cl2N4O/c34-26-11-6-22(7-12-26)31(23-8-13-27(35)14-9-23)25-10-15-30-29(20-25)32(37-21-36-30)38-28-16-18-39(19-17-28)33(40)24-4-2-1-3-5-24/h1-15,20-21,28,31H,16-19H2,(H,36,37,38)
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n/an/an/an/a 5n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...

US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 280 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%