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8 similar compounds to monomer 163048

Compile data set for download or QSAR
Wt: 363.8
BDBM97105
Purchase
Wt: 297.8
BDBM163040
Wt: 325.8
BDBM163042
Wt: 269.7
BDBM163047
Wt: 354.9
BDBM163049
Wt: 314.8
BDBM163061
Wt: 368.9
BDBM163065
Wt: 382.9
BDBM163066

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 97105,163040,163042,163047,163049,163061,163065,163066   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Galanin receptor 3


(HUMAN)
BDBM97105
PNG
(2-(1-adamantyl)-4-chloranyl-5-(oxolan-2-ylmethylam...)
Show SMILES Clc1c(NCC2CCCO2)cnn(c1=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C19H26ClN3O2/c20-17-16(21-10-15-2-1-3-25-15)11-22-23(18(17)24)19-7-12-4-13(8-19)6-14(5-12)9-19/h11-15,21H,1-10H2
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n/an/a>2.99E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM163065
PNG
(US9062004, 31 | US9670216, 32 4-Chloro-5-(2-diethy...)
Show SMILES CN(C)CCN(C)c1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1Cl
Show InChI InChI=1S/C19H33ClN4O/c1-18(2)10-14(11-19(3,4)13-18)24-17(25)16(20)15(12-21-24)23(7)9-8-22(5)6/h12,14H,8-11,13H2,1-7H3
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n/an/a 1.29E+3n/an/an/an/an/a25



ALLERGAN, INC.

US Patent


Assay Description
Plasma membranes prepared from HEK 293 EBNA cells transfected with human CB1 or CB2 cannabinoid receptors (3.7 or 3.3 pmol/mg protein, receptor conce...


US Patent US9670216 (2017)


BindingDB Entry DOI: 10.7270/Q2V98674
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM163042
PNG
(US9062004, 5 | US9670216, 13 4-Bromo-5-propylamino...)
Show SMILES CCCNc1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1Cl
Show InChI InChI=1S/C17H28ClN3O/c1-6-7-19-13-10-20-21(15(22)14(13)18)12-8-16(2,3)11-17(4,5)9-12/h10,12,19H,6-9,11H2,1-5H3
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n/an/a 1.02E+3n/an/an/an/an/an/a



Allergan, Inc.

US Patent


Assay Description
Plasma membranes prepared from HEK 293 EBNA cells transfected with human CB1 or CB2 cannabinoid receptors (3.7 or 3.3 .mu.mol/mg protein, receptor co...


US Patent US9062004 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ64SM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM163049
PNG
(US9062004, 12 | US9670216, 12 4-Chloro-5-(2-dimeth...)
Show SMILES CN(C)CCNc1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1Cl
Show InChI InChI=1S/C18H31ClN4O/c1-17(2)9-13(10-18(3,4)12-17)23-16(24)15(19)14(11-21-23)20-7-8-22(5)6/h11,13,20H,7-10,12H2,1-6H3
PDB

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



Allergan, Inc.

US Patent


Assay Description
Plasma membranes prepared from HEK 293 EBNA cells transfected with human CB1 or CB2 cannabinoid receptors (3.7 or 3.3 .mu.mol/mg protein, receptor co...


US Patent US9062004 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ64SM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM163065
PNG
(US9062004, 31 | US9670216, 32 4-Chloro-5-(2-diethy...)
Show SMILES CN(C)CCN(C)c1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1Cl
Show InChI InChI=1S/C19H33ClN4O/c1-18(2)10-14(11-19(3,4)13-18)24-17(25)16(20)15(12-21-24)23(7)9-8-22(5)6/h12,14H,8-11,13H2,1-7H3
PDB

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n/an/a 2.63E+3n/an/an/an/an/an/a



Allergan, Inc.

US Patent


Assay Description
Plasma membranes prepared from HEK 293 EBNA cells transfected with human CB1 or CB2 cannabinoid receptors (3.7 or 3.3 .mu.mol/mg protein, receptor co...


US Patent US9062004 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ64SM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM163040
PNG
(US9062004, 3 | US9670216, 3 4-Chloro-5-methylamino...)
Show SMILES CNc1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1Cl
Show InChI InChI=1S/C15H24ClN3O/c1-14(2)6-10(7-15(3,4)9-14)19-13(20)12(16)11(17-5)8-18-19/h8,10,17H,6-7,9H2,1-5H3
PDB

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n/an/a 355n/an/an/an/an/an/a



Allergan, Inc.

US Patent


Assay Description
Plasma membranes prepared from HEK 293 EBNA cells transfected with human CB1 or CB2 cannabinoid receptors (3.7 or 3.3 .mu.mol/mg protein, receptor co...


US Patent US9062004 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ64SM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM163042
PNG
(US9062004, 5 | US9670216, 13 4-Bromo-5-propylamino...)
Show SMILES CCCNc1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1Cl
Show InChI InChI=1S/C17H28ClN3O/c1-6-7-19-13-10-20-21(15(22)14(13)18)12-8-16(2,3)11-17(4,5)9-12/h10,12,19H,6-9,11H2,1-5H3
PDB

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n/an/a 5.40n/an/an/an/an/an/a



Allergan, Inc.

US Patent


Assay Description
Plasma membranes prepared from HEK 293 EBNA cells transfected with human CB1 or CB2 cannabinoid receptors (3.7 or 3.3 .mu.mol/mg protein, receptor co...


US Patent US9062004 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ64SM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM163047
PNG
(US9062004, 10 | US9670216, 10 4-Chloro-2-cyclohexy...)
Show SMILES CCCNc1cnn(C2CCCCC2)c(=O)c1Cl
Show InChI InChI=1S/C13H20ClN3O/c1-2-8-15-11-9-16-17(13(18)12(11)14)10-6-4-3-5-7-10/h9-10,15H,2-8H2,1H3
PDB

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



Allergan, Inc.

US Patent


Assay Description
Plasma membranes prepared from HEK 293 EBNA cells transfected with human CB1 or CB2 cannabinoid receptors (3.7 or 3.3 .mu.mol/mg protein, receptor co...


US Patent US9062004 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ64SM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM163049
PNG
(US9062004, 12 | US9670216, 12 4-Chloro-5-(2-dimeth...)
Show SMILES CN(C)CCNc1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1Cl
Show InChI InChI=1S/C18H31ClN4O/c1-17(2)9-13(10-18(3,4)12-17)23-16(24)15(19)14(11-21-23)20-7-8-22(5)6/h11,13,20H,7-10,12H2,1-6H3
PDB

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n/an/a 204n/an/an/an/an/an/a



Allergan, Inc.

US Patent


Assay Description
Plasma membranes prepared from HEK 293 EBNA cells transfected with human CB1 or CB2 cannabinoid receptors (3.7 or 3.3 .mu.mol/mg protein, receptor co...


US Patent US9062004 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ64SM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM163061
PNG
(US9062004, 27 | US9670216, 27 2-t-Butyl-4-chloro-5...)
Show SMILES CC(C)(C)n1ncc(NCCN2CCOCC2)c(Cl)c1=O
Show InChI InChI=1S/C14H23ClN4O2/c1-14(2,3)19-13(20)12(15)11(10-17-19)16-4-5-18-6-8-21-9-7-18/h10,16H,4-9H2,1-3H3
PDB

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



Allergan, Inc.

US Patent


Assay Description
Plasma membranes prepared from HEK 293 EBNA cells transfected with human CB1 or CB2 cannabinoid receptors (3.7 or 3.3 .mu.mol/mg protein, receptor co...


US Patent US9062004 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ64SM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM163065
PNG
(US9062004, 31 | US9670216, 32 4-Chloro-5-(2-diethy...)
Show SMILES CN(C)CCN(C)c1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1Cl
Show InChI InChI=1S/C19H33ClN4O/c1-18(2)10-14(11-19(3,4)13-18)24-17(25)16(20)15(12-21-24)23(7)9-8-22(5)6/h12,14H,8-11,13H2,1-7H3
PDB

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n/an/a 20n/an/an/an/an/an/a



Allergan, Inc.

US Patent


Assay Description
Plasma membranes prepared from HEK 293 EBNA cells transfected with human CB1 or CB2 cannabinoid receptors (3.7 or 3.3 .mu.mol/mg protein, receptor co...


US Patent US9062004 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ64SM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM163066
PNG
(US9062004, 32)
Show SMILES CCN(CC)CCNc1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1Cl
Show InChI InChI=1S/C20H35ClN4O/c1-7-24(8-2)10-9-22-16-13-23-25(18(26)17(16)21)15-11-19(3,4)14-20(5,6)12-15/h13,15,22H,7-12,14H2,1-6H3
PDB

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n/an/a 1.29E+3n/an/an/an/an/an/a



Allergan, Inc.

US Patent


Assay Description
Plasma membranes prepared from HEK 293 EBNA cells transfected with human CB1 or CB2 cannabinoid receptors (3.7 or 3.3 .mu.mol/mg protein, receptor co...


US Patent US9062004 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ64SM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM163040
PNG
(US9062004, 3 | US9670216, 3 4-Chloro-5-methylamino...)
Show SMILES CNc1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1Cl
Show InChI InChI=1S/C15H24ClN3O/c1-14(2)6-10(7-15(3,4)9-14)19-13(20)12(16)11(17-5)8-18-19/h8,10,17H,6-7,9H2,1-5H3
PDB

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n/an/a>1.00E+4n/an/an/an/an/a25



ALLERGAN, INC.

US Patent


Assay Description
Plasma membranes prepared from HEK 293 EBNA cells transfected with human CB1 or CB2 cannabinoid receptors (3.7 or 3.3 pmol/mg protein, receptor conce...


US Patent US9670216 (2017)


BindingDB Entry DOI: 10.7270/Q2V98674
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM163040
PNG
(US9062004, 3 | US9670216, 3 4-Chloro-5-methylamino...)
Show SMILES CNc1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1Cl
Show InChI InChI=1S/C15H24ClN3O/c1-14(2)6-10(7-15(3,4)9-14)19-13(20)12(16)11(17-5)8-18-19/h8,10,17H,6-7,9H2,1-5H3
PDB

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n/an/a 355n/an/an/an/an/a25



ALLERGAN, INC.

US Patent


Assay Description
Plasma membranes prepared from HEK 293 EBNA cells transfected with human CB1 or CB2 cannabinoid receptors (3.7 or 3.3 pmol/mg protein, receptor conce...


US Patent US9670216 (2017)


BindingDB Entry DOI: 10.7270/Q2V98674
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM163042
PNG
(US9062004, 5 | US9670216, 13 4-Bromo-5-propylamino...)
Show SMILES CCCNc1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1Cl
Show InChI InChI=1S/C17H28ClN3O/c1-6-7-19-13-10-20-21(15(22)14(13)18)12-8-16(2,3)11-17(4,5)9-12/h10,12,19H,6-9,11H2,1-5H3
PDB

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n/an/a 1.02E+3n/an/an/an/an/a25



ALLERGAN, INC.

US Patent


Assay Description
Plasma membranes prepared from HEK 293 EBNA cells transfected with human CB1 or CB2 cannabinoid receptors (3.7 or 3.3 pmol/mg protein, receptor conce...


US Patent US9670216 (2017)


BindingDB Entry DOI: 10.7270/Q2V98674
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM163042
PNG
(US9062004, 5 | US9670216, 13 4-Bromo-5-propylamino...)
Show SMILES CCCNc1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1Cl
Show InChI InChI=1S/C17H28ClN3O/c1-6-7-19-13-10-20-21(15(22)14(13)18)12-8-16(2,3)11-17(4,5)9-12/h10,12,19H,6-9,11H2,1-5H3
PDB

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n/an/a 5.40n/an/an/an/an/a25



ALLERGAN, INC.

US Patent


Assay Description
Plasma membranes prepared from HEK 293 EBNA cells transfected with human CB1 or CB2 cannabinoid receptors (3.7 or 3.3 pmol/mg protein, receptor conce...


US Patent US9670216 (2017)


BindingDB Entry DOI: 10.7270/Q2V98674
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM163047
PNG
(US9062004, 10 | US9670216, 10 4-Chloro-2-cyclohexy...)
Show SMILES CCCNc1cnn(C2CCCCC2)c(=O)c1Cl
Show InChI InChI=1S/C13H20ClN3O/c1-2-8-15-11-9-16-17(13(18)12(11)14)10-6-4-3-5-7-10/h9-10,15H,2-8H2,1H3
PDB

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n/an/a 1.00E+4n/an/an/an/an/a25



ALLERGAN, INC.

US Patent


Assay Description
Plasma membranes prepared from HEK 293 EBNA cells transfected with human CB1 or CB2 cannabinoid receptors (3.7 or 3.3 pmol/mg protein, receptor conce...


US Patent US9670216 (2017)


BindingDB Entry DOI: 10.7270/Q2V98674
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM163049
PNG
(US9062004, 12 | US9670216, 12 4-Chloro-5-(2-dimeth...)
Show SMILES CN(C)CCNc1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1Cl
Show InChI InChI=1S/C18H31ClN4O/c1-17(2)9-13(10-18(3,4)12-17)23-16(24)15(19)14(11-21-23)20-7-8-22(5)6/h11,13,20H,7-10,12H2,1-6H3
PDB

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n/an/a>1.00E+4n/an/an/an/an/a25



ALLERGAN, INC.

US Patent


Assay Description
Plasma membranes prepared from HEK 293 EBNA cells transfected with human CB1 or CB2 cannabinoid receptors (3.7 or 3.3 pmol/mg protein, receptor conce...


US Patent US9670216 (2017)


BindingDB Entry DOI: 10.7270/Q2V98674
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM163049
PNG
(US9062004, 12 | US9670216, 12 4-Chloro-5-(2-dimeth...)
Show SMILES CN(C)CCNc1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1Cl
Show InChI InChI=1S/C18H31ClN4O/c1-17(2)9-13(10-18(3,4)12-17)23-16(24)15(19)14(11-21-23)20-7-8-22(5)6/h11,13,20H,7-10,12H2,1-6H3
PDB

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n/an/a 204n/an/an/an/an/a25



ALLERGAN, INC.

US Patent


Assay Description
Plasma membranes prepared from HEK 293 EBNA cells transfected with human CB1 or CB2 cannabinoid receptors (3.7 or 3.3 pmol/mg protein, receptor conce...


US Patent US9670216 (2017)


BindingDB Entry DOI: 10.7270/Q2V98674
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM163042
PNG
(US9062004, 5 | US9670216, 13 4-Bromo-5-propylamino...)
Show SMILES CCCNc1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1Cl
Show InChI InChI=1S/C17H28ClN3O/c1-6-7-19-13-10-20-21(15(22)14(13)18)12-8-16(2,3)11-17(4,5)9-12/h10,12,19H,6-9,11H2,1-5H3
PDB

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n/an/a 174n/an/an/an/an/a25



ALLERGAN, INC.

US Patent


Assay Description
Plasma membranes prepared from HEK 293 EBNA cells transfected with human CB1 or CB2 cannabinoid receptors (3.7 or 3.3 pmol/mg protein, receptor conce...


US Patent US9670216 (2017)


BindingDB Entry DOI: 10.7270/Q2V98674
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM163042
PNG
(US9062004, 5 | US9670216, 13 4-Bromo-5-propylamino...)
Show SMILES CCCNc1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1Cl
Show InChI InChI=1S/C17H28ClN3O/c1-6-7-19-13-10-20-21(15(22)14(13)18)12-8-16(2,3)11-17(4,5)9-12/h10,12,19H,6-9,11H2,1-5H3
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n/an/a 4.80n/an/an/an/an/a25



ALLERGAN, INC.

US Patent


Assay Description
Plasma membranes prepared from HEK 293 EBNA cells transfected with human CB1 or CB2 cannabinoid receptors (3.7 or 3.3 pmol/mg protein, receptor conce...


US Patent US9670216 (2017)


BindingDB Entry DOI: 10.7270/Q2V98674
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM163061
PNG
(US9062004, 27 | US9670216, 27 2-t-Butyl-4-chloro-5...)
Show SMILES CC(C)(C)n1ncc(NCCN2CCOCC2)c(Cl)c1=O
Show InChI InChI=1S/C14H23ClN4O2/c1-14(2,3)19-13(20)12(15)11(10-17-19)16-4-5-18-6-8-21-9-7-18/h10,16H,4-9H2,1-3H3
PDB

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US Patent
n/an/a>1.00E+4n/an/an/an/an/a25



ALLERGAN, INC.

US Patent


Assay Description
Plasma membranes prepared from HEK 293 EBNA cells transfected with human CB1 or CB2 cannabinoid receptors (3.7 or 3.3 pmol/mg protein, receptor conce...


US Patent US9670216 (2017)


BindingDB Entry DOI: 10.7270/Q2V98674
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM163065
PNG
(US9062004, 31 | US9670216, 32 4-Chloro-5-(2-diethy...)
Show SMILES CN(C)CCN(C)c1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1Cl
Show InChI InChI=1S/C19H33ClN4O/c1-18(2)10-14(11-19(3,4)13-18)24-17(25)16(20)15(12-21-24)23(7)9-8-22(5)6/h12,14H,8-11,13H2,1-7H3
PDB

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n/an/a 2.63E+3n/an/an/an/an/a25



ALLERGAN, INC.

US Patent


Assay Description
Plasma membranes prepared from HEK 293 EBNA cells transfected with human CB1 or CB2 cannabinoid receptors (3.7 or 3.3 pmol/mg protein, receptor conce...


US Patent US9670216 (2017)


BindingDB Entry DOI: 10.7270/Q2V98674
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM163065
PNG
(US9062004, 31 | US9670216, 32 4-Chloro-5-(2-diethy...)
Show SMILES CN(C)CCN(C)c1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1Cl
Show InChI InChI=1S/C19H33ClN4O/c1-18(2)10-14(11-19(3,4)13-18)24-17(25)16(20)15(12-21-24)23(7)9-8-22(5)6/h12,14H,8-11,13H2,1-7H3
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n/an/a 20n/an/an/an/an/a25



ALLERGAN, INC.

US Patent


Assay Description
Plasma membranes prepared from HEK 293 EBNA cells transfected with human CB1 or CB2 cannabinoid receptors (3.7 or 3.3 pmol/mg protein, receptor conce...


US Patent US9670216 (2017)


BindingDB Entry DOI: 10.7270/Q2V98674
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM163040
PNG
(US9062004, 3 | US9670216, 3 4-Chloro-5-methylamino...)
Show SMILES CNc1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1Cl
Show InChI InChI=1S/C15H24ClN3O/c1-14(2)6-10(7-15(3,4)9-14)19-13(20)12(16)11(17-5)8-18-19/h8,10,17H,6-7,9H2,1-5H3
PDB

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



Allergan, Inc.

US Patent


Assay Description
Plasma membranes prepared from HEK 293 EBNA cells transfected with human CB1 or CB2 cannabinoid receptors (3.7 or 3.3 .mu.mol/mg protein, receptor co...


US Patent US9062004 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ64SM
More data for this
Ligand-Target Pair