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Compile Data Set for Download or QSAR

Found 280 hits Enz. Inhib. hit(s) with all data for entry = 65   
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))
BDBM143572
PNG
(US9682955, 54)
Show SMILES OCC(CO)(CO)COc1nc(NCc2cccc(c2)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C34H30Cl2F3N3O4/c35-26-9-4-22(5-10-26)30(23-6-11-27(36)12-7-23)24-8-13-29-28(15-24)31(40-16-21-2-1-3-25(14-21)34(37,38)39)42-32(41-29)46-20-33(17-43,18-44)19-45/h1-15,30,43-45H,16-20H2,(H,40,41,42)
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n/an/an/an/a 21n/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))
BDBM143572
PNG
(US9682955, 54)
Show SMILES OCC(CO)(CO)COc1nc(NCc2cccc(c2)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C34H30Cl2F3N3O4/c35-26-9-4-22(5-10-26)30(23-6-11-27(36)12-7-23)24-8-13-29-28(15-24)31(40-16-21-2-1-3-25(14-21)34(37,38)39)42-32(41-29)46-20-33(17-43,18-44)19-45/h1-15,30,43-45H,16-20H2,(H,40,41,42)
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n/an/an/an/a 4.46E+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))
BDBM143564
PNG
(US9682955, 55)
Show SMILES OCCOc1nc(NCc2cccc(c2)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C31H24Cl2F3N3O2/c32-24-9-4-20(5-10-24)28(21-6-11-25(33)12-7-21)22-8-13-27-26(17-22)29(39-30(38-27)41-15-14-40)37-18-19-2-1-3-23(16-19)31(34,35)36/h1-13,16-17,28,40H,14-15,18H2,(H,37,38,39)
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n/an/an/an/a 13n/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))
BDBM143564
PNG
(US9682955, 55)
Show SMILES OCCOc1nc(NCc2cccc(c2)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C31H24Cl2F3N3O2/c32-24-9-4-20(5-10-24)28(21-6-11-25(33)12-7-21)22-8-13-27-26(17-22)29(39-30(38-27)41-15-14-40)37-18-19-2-1-3-23(16-19)31(34,35)36/h1-13,16-17,28,40H,14-15,18H2,(H,37,38,39)
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n/an/an/an/a 4.45E+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))
BDBM143632
PNG
(US9682955, 56)
Show SMILES NC(=O)c1ccc(CNc2ncnc3ccc(cc23)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C29H22Cl2N4O/c30-23-10-5-19(6-11-23)27(20-7-12-24(31)13-8-20)22-9-14-26-25(15-22)29(35-17-34-26)33-16-18-1-3-21(4-2-18)28(32)36/h1-15,17,27H,16H2,(H2,32,36)(H,33,34,35)
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n/an/an/an/a 446n/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))
BDBM143632
PNG
(US9682955, 56)
Show SMILES NC(=O)c1ccc(CNc2ncnc3ccc(cc23)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C29H22Cl2N4O/c30-23-10-5-19(6-11-23)27(20-7-12-24(31)13-8-20)22-9-14-26-25(15-22)29(35-17-34-26)33-16-18-1-3-21(4-2-18)28(32)36/h1-15,17,27H,16H2,(H2,32,36)(H,33,34,35)
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n/an/an/an/a 9.10E+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))
BDBM143560
PNG
(US9682955, 58)
Show SMILES COc1ccc(cc1)C(c1ccc(Cl)cc1)c1ccc2ncnc(NC3CCN(CC3)c3ccccc3)c2c1
Show InChI InChI=1S/C33H31ClN4O/c1-39-29-14-9-24(10-15-29)32(23-7-12-26(34)13-8-23)25-11-16-31-30(21-25)33(36-22-35-31)37-27-17-19-38(20-18-27)28-5-3-2-4-6-28/h2-16,21-22,27,32H,17-20H2,1H3,(H,35,36,37)
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n/an/an/an/a 0.5n/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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM143560
PNG
(US9682955, 58)
Show SMILES COc1ccc(cc1)C(c1ccc(Cl)cc1)c1ccc2ncnc(NC3CCN(CC3)c3ccccc3)c2c1
Show InChI InChI=1S/C33H31ClN4O/c1-39-29-14-9-24(10-15-29)32(23-7-12-26(34)13-8-23)25-11-16-31-30(21-25)33(36-22-35-31)37-27-17-19-38(20-18-27)28-5-3-2-4-6-28/h2-16,21-22,27,32H,17-20H2,1H3,(H,35,36,37)
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n/an/an/an/a 67n/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))
BDBM143562
PNG
(US9682955, 59)
Show SMILES OC(=O)c1cccc(CNc2ncnc3ccc(cc23)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C29H21Cl2N3O2/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(34-17-33-26)32-16-18-2-1-3-22(14-18)29(35)36/h1-15,17,27H,16H2,(H,35,36)(H,32,33,34)
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n/an/an/an/a 4.43E+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))
BDBM143562
PNG
(US9682955, 59)
Show SMILES OC(=O)c1cccc(CNc2ncnc3ccc(cc23)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C29H21Cl2N3O2/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(34-17-33-26)32-16-18-2-1-3-22(14-18)29(35)36/h1-15,17,27H,16H2,(H,35,36)(H,32,33,34)
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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))
BDBM143633
PNG
(US9682955, 60)
Show SMILES OC(=O)c1ccc(CNc2ncnc3ccc(cc23)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C29H21Cl2N3O2/c30-23-10-5-19(6-11-23)27(20-7-12-24(31)13-8-20)22-9-14-26-25(15-22)28(34-17-33-26)32-16-18-1-3-21(4-2-18)29(35)36/h1-15,17,27H,16H2,(H,35,36)(H,32,33,34)
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n/an/an/an/a 5.30E+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))
BDBM143633
PNG
(US9682955, 60)
Show SMILES OC(=O)c1ccc(CNc2ncnc3ccc(cc23)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C29H21Cl2N3O2/c30-23-10-5-19(6-11-23)27(20-7-12-24(31)13-8-20)22-9-14-26-25(15-22)28(34-17-33-26)32-16-18-1-3-21(4-2-18)29(35)36/h1-15,17,27H,16H2,(H,35,36)(H,32,33,34)
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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))
BDBM143634
PNG
(US9682955, 61)
Show SMILES COC(=O)c1ccc(CNc2ncnc3ccc(cc23)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C30H23Cl2N3O2/c1-37-30(36)22-4-2-19(3-5-22)17-33-29-26-16-23(10-15-27(26)34-18-35-29)28(20-6-11-24(31)12-7-20)21-8-13-25(32)14-9-21/h2-16,18,28H,17H2,1H3,(H,33,34,35)
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n/an/an/an/a 20n/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))
BDBM143634
PNG
(US9682955, 61)
Show SMILES COC(=O)c1ccc(CNc2ncnc3ccc(cc23)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C30H23Cl2N3O2/c1-37-30(36)22-4-2-19(3-5-22)17-33-29-26-16-23(10-15-27(26)34-18-35-29)28(20-6-11-24(31)12-7-20)21-8-13-25(32)14-9-21/h2-16,18,28H,17H2,1H3,(H,33,34,35)
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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))
BDBM143561
PNG
(US9682955, 62)
Show SMILES COC(=O)c1cccc(CNc2ncnc3ccc(cc23)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C30H23Cl2N3O2/c1-37-30(36)23-4-2-3-19(15-23)17-33-29-26-16-22(9-14-27(26)34-18-35-29)28(20-5-10-24(31)11-6-20)21-7-12-25(32)13-8-21/h2-16,18,28H,17H2,1H3,(H,33,34,35)
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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 2


(Homo sapiens (Human))
BDBM143561
PNG
(US9682955, 62)
Show SMILES COC(=O)c1cccc(CNc2ncnc3ccc(cc23)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C30H23Cl2N3O2/c1-37-30(36)23-4-2-3-19(15-23)17-33-29-26-16-22(9-14-27(26)34-18-35-29)28(20-5-10-24(31)11-6-20)21-7-12-25(32)13-8-21/h2-16,18,28H,17H2,1H3,(H,33,34,35)
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n/an/an/an/a 8.08E+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))
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 10n/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 1


(Homo sapiens (Human))
BDBM143589
PNG
(US9682955, 64)
Show SMILES CC(C)OC(=O)OCOC(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C38H36Cl2N4O7S/c1-24(2)51-38(46)50-23-49-37(45)27-7-14-32(15-8-27)52(47,48)44-19-17-31(18-20-44)43-36-33-21-28(9-16-34(33)41-22-42-36)35(25-3-10-29(39)11-4-25)26-5-12-30(40)13-6-26/h3-16,21-22,24,31,35H,17-20,23H2,1-2H3,(H,41,42,43)
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n/an/an/an/a 15n/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))
BDBM143589
PNG
(US9682955, 64)
Show SMILES CC(C)OC(=O)OCOC(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C38H36Cl2N4O7S/c1-24(2)51-38(46)50-23-49-37(45)27-7-14-32(15-8-27)52(47,48)44-19-17-31(18-20-44)43-36-33-21-28(9-16-34(33)41-22-42-36)35(25-3-10-29(39)11-4-25)26-5-12-30(40)13-6-26/h3-16,21-22,24,31,35H,17-20,23H2,1-2H3,(H,41,42,43)
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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))
BDBM143638
PNG
(US9682955, 65)
Show SMILES Fc1ccc(CNc2ncnc3ccc(cc23)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C28H20Cl2FN3/c29-22-8-3-19(4-9-22)27(20-5-10-23(30)11-6-20)21-7-14-26-25(15-21)28(34-17-33-26)32-16-18-1-12-24(31)13-2-18/h1-15,17,27H,16H2,(H,32,33,34)
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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))
BDBM143638
PNG
(US9682955, 65)
Show SMILES Fc1ccc(CNc2ncnc3ccc(cc23)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C28H20Cl2FN3/c29-22-8-3-19(4-9-22)27(20-5-10-23(30)11-6-20)21-7-14-26-25(15-21)28(34-17-33-26)32-16-18-1-12-24(31)13-2-18/h1-15,17,27H,16H2,(H,32,33,34)
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n/an/an/an/a 2.94E+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))
BDBM143528
PNG
(US9682955, 66)
Show SMILES NC(=O)CCCOc1nc(NCc2ccc(cc2)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C33H27Cl2F3N4O2/c34-25-12-5-21(6-13-25)30(22-7-14-26(35)15-8-22)23-9-16-28-27(18-23)31(42-32(41-28)44-17-1-2-29(39)43)40-19-20-3-10-24(11-4-20)33(36,37)38/h3-16,18,30H,1-2,17,19H2,(H2,39,43)(H,40,41,42)
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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))
BDBM143528
PNG
(US9682955, 66)
Show SMILES NC(=O)CCCOc1nc(NCc2ccc(cc2)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C33H27Cl2F3N4O2/c34-25-12-5-21(6-13-25)30(22-7-14-26(35)15-8-22)23-9-16-28-27(18-23)31(42-32(41-28)44-17-1-2-29(39)43)40-19-20-3-10-24(11-4-20)33(36,37)38/h3-16,18,30H,1-2,17,19H2,(H2,39,43)(H,40,41,42)
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n/an/an/an/a 845n/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))
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 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 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 1


(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 950n/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 1


(Homo sapiens (Human))
BDBM143525
PNG
(US9682955, 69)
Show SMILES CC(=O)NCCOc1nc(NCc2ccc(cc2)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C33H27Cl2F3N4O2/c1-20(43)39-16-17-44-32-41-29-15-8-24(30(22-4-11-26(34)12-5-22)23-6-13-27(35)14-7-23)18-28(29)31(42-32)40-19-21-2-9-25(10-3-21)33(36,37)38/h2-15,18,30H,16-17,19H2,1H3,(H,39,43)(H,40,41,42)
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n/an/an/an/a 98n/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))
BDBM143525
PNG
(US9682955, 69)
Show SMILES CC(=O)NCCOc1nc(NCc2ccc(cc2)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C33H27Cl2F3N4O2/c1-20(43)39-16-17-44-32-41-29-15-8-24(30(22-4-11-26(34)12-5-22)23-6-13-27(35)14-7-23)18-28(29)31(42-32)40-19-21-2-9-25(10-3-21)33(36,37)38/h2-15,18,30H,16-17,19H2,1H3,(H,39,43)(H,40,41,42)
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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))
BDBM143527
PNG
(US9682955, 71)
Show SMILES OCCCCOc1nc(NCc2ccc(cc2)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C33H28Cl2F3N3O2/c34-26-12-5-22(6-13-26)30(23-7-14-27(35)15-8-23)24-9-16-29-28(19-24)31(41-32(40-29)43-18-2-1-17-42)39-20-21-3-10-25(11-4-21)33(36,37)38/h3-16,19,30,42H,1-2,17-18,20H2,(H,39,40,41)
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n/an/an/an/a 19n/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))
BDBM143527
PNG
(US9682955, 71)
Show SMILES OCCCCOc1nc(NCc2ccc(cc2)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C33H28Cl2F3N3O2/c34-26-12-5-22(6-13-26)30(23-7-14-27(35)15-8-23)24-9-16-29-28(19-24)31(41-32(40-29)43-18-2-1-17-42)39-20-21-3-10-25(11-4-21)33(36,37)38/h3-16,19,30,42H,1-2,17-18,20H2,(H,39,40,41)
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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))
BDBM143524
PNG
(US9682955, 72)
Show SMILES NCCOc1nc(NCc2ccc(cc2)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C31H25Cl2F3N4O/c32-24-10-3-20(4-11-24)28(21-5-12-25(33)13-6-21)22-7-14-27-26(17-22)29(40-30(39-27)41-16-15-37)38-18-19-1-8-23(9-2-19)31(34,35)36/h1-14,17,28H,15-16,18,37H2,(H,38,39,40)
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n/an/an/an/a 51n/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))
BDBM143524
PNG
(US9682955, 72)
Show SMILES NCCOc1nc(NCc2ccc(cc2)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C31H25Cl2F3N4O/c32-24-10-3-20(4-11-24)28(21-5-12-25(33)13-6-21)22-7-14-27-26(17-22)29(40-30(39-27)41-16-15-37)38-18-19-1-8-23(9-2-19)31(34,35)36/h1-14,17,28H,15-16,18,37H2,(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))
BDBM143553
PNG
(US9682955, 73)
Show SMILES COC(=O)c1ccc(cc1)C(=O)N1CCC(CC1)Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C35H30Cl2N4O3/c1-44-35(43)25-4-2-24(3-5-25)34(42)41-18-16-29(17-19-41)40-33-30-20-26(10-15-31(30)38-21-39-33)32(22-6-11-27(36)12-7-22)23-8-13-28(37)14-9-23/h2-15,20-21,29,32H,16-19H2,1H3,(H,38,39,40)
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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 2


(Homo sapiens (Human))
BDBM143553
PNG
(US9682955, 73)
Show SMILES COC(=O)c1ccc(cc1)C(=O)N1CCC(CC1)Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C35H30Cl2N4O3/c1-44-35(43)25-4-2-24(3-5-25)34(42)41-18-16-29(17-19-41)40-33-30-20-26(10-15-31(30)38-21-39-33)32(22-6-11-27(36)12-7-22)23-8-13-28(37)14-9-23/h2-15,20-21,29,32H,16-19H2,1H3,(H,38,39,40)
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n/an/an/an/a 4.43E+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))
BDBM143543
PNG
(US9682955, 74)
Show SMILES NC(=O)Cc1ccc(cc1)N1CCC(CC1)Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C34H31Cl2N5O/c35-26-8-3-23(4-9-26)33(24-5-10-27(36)11-6-24)25-7-14-31-30(20-25)34(39-21-38-31)40-28-15-17-41(18-16-28)29-12-1-22(2-13-29)19-32(37)42/h1-14,20-21,28,33H,15-19H2,(H2,37,42)(H,38,39,40)
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n/an/an/an/a 82n/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))
BDBM143543
PNG
(US9682955, 74)
Show SMILES NC(=O)Cc1ccc(cc1)N1CCC(CC1)Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C34H31Cl2N5O/c35-26-8-3-23(4-9-26)33(24-5-10-27(36)11-6-24)25-7-14-31-30(20-25)34(39-21-38-31)40-28-15-17-41(18-16-28)29-12-1-22(2-13-29)19-32(37)42/h1-14,20-21,28,33H,15-19H2,(H2,37,42)(H,38,39,40)
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n/an/an/an/a 178n/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))
BDBM143522
PNG
(US9682955, 75)
Show SMILES FC(F)(F)c1ccc(CNc2nc(OCCN=[N+]=[N-])nc3ccc(cc23)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C31H23Cl2F3N6O/c32-24-10-3-20(4-11-24)28(21-5-12-25(33)13-6-21)22-7-14-27-26(17-22)29(41-30(40-27)43-16-15-39-42-37)38-18-19-1-8-23(9-2-19)31(34,35)36/h1-14,17,28H,15-16,18H2,(H,38,40,41)
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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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM143522
PNG
(US9682955, 75)
Show SMILES FC(F)(F)c1ccc(CNc2nc(OCCN=[N+]=[N-])nc3ccc(cc23)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C31H23Cl2F3N6O/c32-24-10-3-20(4-11-24)28(21-5-12-25(33)13-6-21)22-7-14-27-26(17-22)29(41-30(40-27)43-16-15-39-42-37)38-18-19-1-8-23(9-2-19)31(34,35)36/h1-14,17,28H,15-16,18H2,(H,38,40,41)
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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))
BDBM143552
PNG
(US9682955, 76)
Show SMILES OCCNC(=O)CCc1ccc(cc1)N1CCC(CC1)Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C37H37Cl2N5O2/c38-29-9-4-26(5-10-29)36(27-6-11-30(39)12-7-27)28-8-15-34-33(23-28)37(42-24-41-34)43-31-17-20-44(21-18-31)32-13-1-25(2-14-32)3-16-35(46)40-19-22-45/h1-2,4-15,23-24,31,36,45H,3,16-22H2,(H,40,46)(H,41,42,43)
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n/an/an/an/a 4.39E+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))
BDBM143552
PNG
(US9682955, 76)
Show SMILES OCCNC(=O)CCc1ccc(cc1)N1CCC(CC1)Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C37H37Cl2N5O2/c38-29-9-4-26(5-10-29)36(27-6-11-30(39)12-7-27)28-8-15-34-33(23-28)37(42-24-41-34)43-31-17-20-44(21-18-31)32-13-1-25(2-14-32)3-16-35(46)40-19-22-45/h1-2,4-15,23-24,31,36,45H,3,16-22H2,(H,40,46)(H,41,42,43)
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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))
BDBM143542
PNG
(US9682955, 77)
Show SMILES OC(=O)Cc1ccc(cc1)N1CCC(CC1)Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C34H30Cl2N4O2/c35-26-8-3-23(4-9-26)33(24-5-10-27(36)11-6-24)25-7-14-31-30(20-25)34(38-21-37-31)39-28-15-17-40(18-16-28)29-12-1-22(2-13-29)19-32(41)42/h1-14,20-21,28,33H,15-19H2,(H,41,42)(H,37,38,39)
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n/an/an/an/a 297n/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))
BDBM143542
PNG
(US9682955, 77)
Show SMILES OC(=O)Cc1ccc(cc1)N1CCC(CC1)Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C34H30Cl2N4O2/c35-26-8-3-23(4-9-26)33(24-5-10-27(36)11-6-24)25-7-14-31-30(20-25)34(38-21-37-31)39-28-15-17-40(18-16-28)29-12-1-22(2-13-29)19-32(41)42/h1-14,20-21,28,33H,15-19H2,(H,41,42)(H,37,38,39)
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n/an/an/an/a 3.29E+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 2


(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 9.40E+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
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