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PubMed code 22571451

Compile data set for download or QSAR
Found 46 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50389942
PNG
(CHEMBL2071057)
Show SMILES CCc1c([nH]c2ccc(Cl)cc12)C(=O)OCCc1ccc(cc1)N(C)C
Show InChI InChI=1S/C21H23ClN2O2/c1-4-17-18-13-15(22)7-10-19(18)23-20(17)21(25)26-12-11-14-5-8-16(9-6-14)24(2)3/h5-10,13,23H,4,11-12H2,1-3H3
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n/an/a 5.57E+3n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB2 receptor expressed in HEK293 cells assessed as inhibition of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50389924
PNG
(CHEMBL2071059)
Show SMILES CCc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C24H29ClN4O/c1-3-20-21-16-18(25)6-9-22(21)27-23(20)24(30)26-11-10-17-4-7-19(8-5-17)29-14-12-28(2)13-15-29/h4-9,16,27H,3,10-15H2,1-2H3,(H,26,30)
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n/an/a 6.97E+3n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB2 receptor expressed in HEK293 cells assessed as inhibition of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50389940
PNG
(CHEMBL2071055)
Show SMILES CCc1c([nH]c2ccc(Cl)cc12)C(=O)OCCc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C24H27ClN2O2/c1-2-20-21-16-18(25)8-11-22(21)26-23(20)24(28)29-15-12-17-6-9-19(10-7-17)27-13-4-3-5-14-27/h6-11,16,26H,2-5,12-15H2,1H3
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n/an/a 8.26E+3n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB2 receptor expressed in HEK293 cells assessed as inhibition of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50389934
PNG
(CHEMBL2071070)
Show SMILES CCc1c([nH]c2ccccc12)C(=O)NCCc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C24H29N3O/c1-2-20-21-8-4-5-9-22(21)26-23(20)24(28)25-15-14-18-10-12-19(13-11-18)27-16-6-3-7-17-27/h4-5,8-13,26H,2-3,6-7,14-17H2,1H3,(H,25,28)
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n/an/a 8.97E+3n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB2 receptor expressed in HEK293 cells assessed as inhibition of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50389927
PNG
(CHEMBL2071062)
Show SMILES CCc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(NC)cc1
Show InChI InChI=1S/C20H22ClN3O/c1-3-16-17-12-14(21)6-9-18(17)24-19(16)20(25)23-11-10-13-4-7-15(22-2)8-5-13/h4-9,12,22,24H,3,10-11H2,1-2H3,(H,23,25)
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n/an/a 9.13E+3n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB2 receptor expressed in HEK293 cells assessed as inhibition of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50389928
PNG
(CHEMBL2071063)
Show SMILES CCc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(cc1)N(C)C
Show InChI InChI=1S/C21H24ClN3O/c1-4-17-18-13-15(22)7-10-19(18)24-20(17)21(26)23-12-11-14-5-8-16(9-6-14)25(2)3/h5-10,13,24H,4,11-12H2,1-3H3,(H,23,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB2 receptor expressed in HEK293 cells assessed as inhibition of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50389941
PNG
(CHEMBL2071056)
Show SMILES CCc1c([nH]c2ccc(Cl)cc12)C(=O)OCCc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H17ClN2O4/c1-2-15-16-11-13(20)5-8-17(16)21-18(15)19(23)26-10-9-12-3-6-14(7-4-12)22(24)25/h3-8,11,21H,2,9-10H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB1 receptor expressed in HEK293 cells assessed as inhibition of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50389940
PNG
(CHEMBL2071055)
Show SMILES CCc1c([nH]c2ccc(Cl)cc12)C(=O)OCCc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C24H27ClN2O2/c1-2-20-21-16-18(25)8-11-22(21)26-23(20)24(28)29-15-12-17-6-9-19(10-7-17)27-13-4-3-5-14-27/h6-11,16,26H,2-5,12-15H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB1 receptor expressed in HEK293 cells assessed as inhibition of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50389931
PNG
(CHEMBL2071066)
Show SMILES CCc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(F)cc1
Show InChI InChI=1S/C19H18ClFN2O/c1-2-15-16-11-13(20)5-8-17(16)23-18(15)19(24)22-10-9-12-3-6-14(21)7-4-12/h3-8,11,23H,2,9-10H2,1H3,(H,22,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB2 receptor expressed in HEK293 cells assessed as inhibition of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50389935
PNG
(CHEMBL2071071)
Show SMILES Clc1ccc2[nH]c(cc2c1)C(=O)NCCc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C22H24ClN3O/c23-18-6-9-20-17(14-18)15-21(25-20)22(27)24-11-10-16-4-7-19(8-5-16)26-12-2-1-3-13-26/h4-9,14-15,25H,1-3,10-13H2,(H,24,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB2 receptor expressed in HEK293 cells assessed as inhibition of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50389930
PNG
(CHEMBL2071065)
Show SMILES CCc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(Cl)cc1
Show InChI InChI=1S/C19H18Cl2N2O/c1-2-15-16-11-14(21)7-8-17(16)23-18(15)19(24)22-10-9-12-3-5-13(20)6-4-12/h3-8,11,23H,2,9-10H2,1H3,(H,22,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB2 receptor expressed in HEK293 cells assessed as inhibition of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50389938
PNG
(CHEMBL2071076)
Show SMILES Clc1ccc(CCNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1
Show InChI InChI=1S/C17H14Cl2N2O/c18-13-3-1-11(2-4-13)7-8-20-17(22)16-10-12-9-14(19)5-6-15(12)21-16/h1-6,9-10,21H,7-8H2,(H,20,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB2 receptor expressed in HEK293 cells assessed as inhibition of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50389944
PNG
(CHEMBL2071073)
Show SMILES Nc1ccc(CCNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1
Show InChI InChI=1S/C17H16ClN3O/c18-13-3-6-15-12(9-13)10-16(21-15)17(22)20-8-7-11-1-4-14(19)5-2-11/h1-6,9-10,21H,7-8,19H2,(H,20,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB1 receptor expressed in HEK293 cells assessed as inhibition of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50389941
PNG
(CHEMBL2071056)
Show SMILES CCc1c([nH]c2ccc(Cl)cc12)C(=O)OCCc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H17ClN2O4/c1-2-15-16-11-13(20)5-8-17(16)21-18(15)19(23)26-10-9-12-3-6-14(7-4-12)22(24)25/h3-8,11,21H,2,9-10H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB2 receptor expressed in HEK293 cells assessed as inhibition of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50389945
PNG
(CHEMBL2071074)
Show SMILES CNc1ccc(CCNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1
Show InChI InChI=1S/C18H18ClN3O/c1-20-15-5-2-12(3-6-15)8-9-21-18(23)17-11-13-10-14(19)4-7-16(13)22-17/h2-7,10-11,20,22H,8-9H2,1H3,(H,21,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB1 receptor expressed in HEK293 cells assessed as inhibition of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50389929
PNG
(CHEMBL2071064)
Show SMILES CCc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(C)cc1
Show InChI InChI=1S/C20H21ClN2O/c1-3-16-17-12-15(21)8-9-18(17)23-19(16)20(24)22-11-10-14-6-4-13(2)5-7-14/h4-9,12,23H,3,10-11H2,1-2H3,(H,22,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB2 receptor expressed in HEK293 cells assessed as inhibition of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50389945
PNG
(CHEMBL2071074)
Show SMILES CNc1ccc(CCNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1
Show InChI InChI=1S/C18H18ClN3O/c1-20-15-5-2-12(3-6-15)8-9-21-18(23)17-11-13-10-14(19)4-7-16(13)22-17/h2-7,10-11,20,22H,8-9H2,1H3,(H,21,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB2 receptor expressed in HEK293 cells assessed as inhibition of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50389936
PNG
(CHEMBL2071072)
Show SMILES [O-][N+](=O)c1ccc(CCNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1
Show InChI InChI=1S/C17H14ClN3O3/c18-13-3-6-15-12(9-13)10-16(20-15)17(22)19-8-7-11-1-4-14(5-2-11)21(23)24/h1-6,9-10,20H,7-8H2,(H,19,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB2 receptor expressed in HEK293 cells assessed as inhibition of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50389942
PNG
(CHEMBL2071057)
Show SMILES CCc1c([nH]c2ccc(Cl)cc12)C(=O)OCCc1ccc(cc1)N(C)C
Show InChI InChI=1S/C21H23ClN2O2/c1-4-17-18-13-15(22)7-10-19(18)23-20(17)21(25)26-12-11-14-5-8-16(9-6-14)24(2)3/h5-10,13,23H,4,11-12H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB1 receptor expressed in HEK293 cells assessed as inhibition of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50389926
PNG
(CHEMBL2071061)
Show SMILES CCc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(N)cc1
Show InChI InChI=1S/C19H20ClN3O/c1-2-15-16-11-13(20)5-8-17(16)23-18(15)19(24)22-10-9-12-3-6-14(21)7-4-12/h3-8,11,23H,2,9-10,21H2,1H3,(H,22,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB2 receptor expressed in HEK293 cells assessed as inhibition of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50389937
PNG
(CHEMBL2071075)
Show SMILES CN(C)c1ccc(CCNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1
Show InChI InChI=1S/C19H20ClN3O/c1-23(2)16-6-3-13(4-7-16)9-10-21-19(24)18-12-14-11-15(20)5-8-17(14)22-18/h3-8,11-12,22H,9-10H2,1-2H3,(H,21,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB2 receptor expressed in HEK293 cells assessed as inhibition of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50389943
PNG
(CHEMBL2071067)
Show SMILES CC(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C24H26ClN3O2/c1-16(29)22-20-15-18(25)7-10-21(20)27-23(22)24(30)26-12-11-17-5-8-19(9-6-17)28-13-3-2-4-14-28/h5-10,15,27H,2-4,11-14H2,1H3,(H,26,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB1 receptor expressed in HEK293 cells assessed as inhibition of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50389932
PNG
(CHEMBL2071068)
Show SMILES CC(O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C24H28ClN3O2/c1-16(29)22-20-15-18(25)7-10-21(20)27-23(22)24(30)26-12-11-17-5-8-19(9-6-17)28-13-3-2-4-14-28/h5-10,15-16,27,29H,2-4,11-14H2,1H3,(H,26,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB2 receptor expressed in HEK293 cells assessed as inhibition of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50389925
PNG
(CHEMBL2071060)
Show SMILES CCc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H18ClN3O3/c1-2-15-16-11-13(20)5-8-17(16)22-18(15)19(24)21-10-9-12-3-6-14(7-4-12)23(25)26/h3-8,11,22H,2,9-10H2,1H3,(H,21,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB2 receptor expressed in HEK293 cells assessed as inhibition of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50389943
PNG
(CHEMBL2071067)
Show SMILES CC(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C24H26ClN3O2/c1-16(29)22-20-15-18(25)7-10-21(20)27-23(22)24(30)26-12-11-17-5-8-19(9-6-17)28-13-3-2-4-14-28/h5-10,15,27H,2-4,11-14H2,1H3,(H,26,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB2 receptor expressed in HEK293 cells assessed as inhibition of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50389939
PNG
(CHEMBL1553629)
Show SMILES CCc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C24H28ClN3O/c1-2-20-21-16-18(25)8-11-22(21)27-23(20)24(29)26-13-12-17-6-9-19(10-7-17)28-14-4-3-5-15-28/h6-11,16,27H,2-5,12-15H2,1H3,(H,26,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB2 receptor expressed in HEK293 cells assessed as inhibition of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50389944
PNG
(CHEMBL2071073)
Show SMILES Nc1ccc(CCNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1
Show InChI InChI=1S/C17H16ClN3O/c18-13-3-6-15-12(9-13)10-16(21-15)17(22)20-8-7-11-1-4-14(19)5-2-11/h1-6,9-10,21H,7-8,19H2,(H,20,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB2 receptor expressed in HEK293 cells assessed as inhibition of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50389939
PNG
(CHEMBL1553629)
Show SMILES CCc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C24H28ClN3O/c1-2-20-21-16-18(25)8-11-22(21)27-23(20)24(29)26-13-12-17-6-9-19(10-7-17)28-14-4-3-5-15-28/h6-11,16,27H,2-5,12-15H2,1H3,(H,26,29)
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n/an/an/an/a 140n/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB1 receptor expressed in HEK293 cells assessed as stimulation of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50389938
PNG
(CHEMBL2071076)
Show SMILES Clc1ccc(CCNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1
Show InChI InChI=1S/C17H14Cl2N2O/c18-13-3-1-11(2-4-13)7-8-20-17(22)16-10-12-9-14(19)5-6-15(12)21-16/h1-6,9-10,21H,7-8H2,(H,20,22)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB1 receptor expressed in HEK293 cells assessed as stimulation of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50389931
PNG
(CHEMBL2071066)
Show SMILES CCc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(F)cc1
Show InChI InChI=1S/C19H18ClFN2O/c1-2-15-16-11-13(20)5-8-17(16)23-18(15)19(24)22-10-9-12-3-6-14(21)7-4-12/h3-8,11,23H,2,9-10H2,1H3,(H,22,24)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB1 receptor expressed in HEK293 cells assessed as stimulation of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50389932
PNG
(CHEMBL2071068)
Show SMILES CC(O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C24H28ClN3O2/c1-16(29)22-20-15-18(25)7-10-21(20)27-23(22)24(30)26-12-11-17-5-8-19(9-6-17)28-13-3-2-4-14-28/h5-10,15-16,27,29H,2-4,11-14H2,1H3,(H,26,30)
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n/an/an/an/a 8.45E+3n/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB1 receptor expressed in HEK293 cells assessed as stimulation of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50389930
PNG
(CHEMBL2071065)
Show SMILES CCc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(Cl)cc1
Show InChI InChI=1S/C19H18Cl2N2O/c1-2-15-16-11-14(21)7-8-17(16)23-18(15)19(24)22-10-9-12-3-5-13(20)6-4-12/h3-8,11,23H,2,9-10H2,1H3,(H,22,24)
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n/an/an/an/a 760n/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB1 receptor expressed in HEK293 cells assessed as stimulation of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50389927
PNG
(CHEMBL2071062)
Show SMILES CCc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(NC)cc1
Show InChI InChI=1S/C20H22ClN3O/c1-3-16-17-12-14(21)6-9-18(17)24-19(16)20(25)23-11-10-13-4-7-15(22-2)8-5-13/h4-9,12,22,24H,3,10-11H2,1-2H3,(H,23,25)
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n/an/an/an/a 960n/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB1 receptor expressed in HEK293 cells assessed as stimulation of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50389935
PNG
(CHEMBL2071071)
Show SMILES Clc1ccc2[nH]c(cc2c1)C(=O)NCCc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C22H24ClN3O/c23-18-6-9-20-17(14-18)15-21(25-20)22(27)24-11-10-16-4-7-19(8-5-16)26-12-2-1-3-13-26/h4-9,14-15,25H,1-3,10-13H2,(H,24,27)
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n/an/an/an/a 90n/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB1 receptor expressed in HEK293 cells assessed as stimulation of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50389937
PNG
(CHEMBL2071075)
Show SMILES CN(C)c1ccc(CCNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1
Show InChI InChI=1S/C19H20ClN3O/c1-23(2)16-6-3-13(4-7-16)9-10-21-19(24)18-12-14-11-15(20)5-8-17(14)22-18/h3-8,11-12,22H,9-10H2,1-2H3,(H,21,24)
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n/an/an/an/a 1.53E+3n/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB1 receptor expressed in HEK293 cells assessed as stimulation of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50389934
PNG
(CHEMBL2071070)
Show SMILES CCc1c([nH]c2ccccc12)C(=O)NCCc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C24H29N3O/c1-2-20-21-8-4-5-9-22(21)26-23(20)24(28)25-15-14-18-10-12-19(13-11-18)27-16-6-3-7-17-27/h4-5,8-13,26H,2-3,6-7,14-17H2,1H3,(H,25,28)
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n/an/an/an/a 810n/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB1 receptor expressed in HEK293 cells assessed as stimulation of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50389924
PNG
(CHEMBL2071059)
Show SMILES CCc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C24H29ClN4O/c1-3-20-21-16-18(25)6-9-22(21)27-23(20)24(30)26-11-10-17-4-7-19(8-5-17)29-14-12-28(2)13-15-29/h4-9,16,27H,3,10-15H2,1-2H3,(H,26,30)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB1 receptor expressed in HEK293 cells assessed as stimulation of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50389926
PNG
(CHEMBL2071061)
Show SMILES CCc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(N)cc1
Show InChI InChI=1S/C19H20ClN3O/c1-2-15-16-11-13(20)5-8-17(16)23-18(15)19(24)22-10-9-12-3-6-14(21)7-4-12/h3-8,11,23H,2,9-10,21H2,1H3,(H,22,24)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB1 receptor expressed in HEK293 cells assessed as stimulation of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50389928
PNG
(CHEMBL2071063)
Show SMILES CCc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(cc1)N(C)C
Show InChI InChI=1S/C21H24ClN3O/c1-4-17-18-13-15(22)7-10-19(18)24-20(17)21(26)23-12-11-14-5-8-16(9-6-14)25(2)3/h5-10,13,24H,4,11-12H2,1-3H3,(H,23,26)
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n/an/an/an/a 50n/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB1 receptor expressed in HEK293 cells assessed as stimulation of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50389925
PNG
(CHEMBL2071060)
Show SMILES CCc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H18ClN3O3/c1-2-15-16-11-13(20)5-8-17(16)22-18(15)19(24)21-10-9-12-3-6-14(7-4-12)23(25)26/h3-8,11,22H,2,9-10H2,1H3,(H,21,24)
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n/an/an/an/a 360n/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB1 receptor expressed in HEK293 cells assessed as stimulation of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50389929
PNG
(CHEMBL2071064)
Show SMILES CCc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(C)cc1
Show InChI InChI=1S/C20H21ClN2O/c1-3-16-17-12-15(21)8-9-18(17)23-19(16)20(24)22-11-10-14-6-4-13(2)5-7-14/h4-9,12,23H,3,10-11H2,1-2H3,(H,22,24)
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n/an/an/an/a 550n/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB1 receptor expressed in HEK293 cells assessed as stimulation of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50389923
PNG
(CHEMBL2071058)
Show SMILES CCc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(cc1)N1CCCC1
Show InChI InChI=1S/C23H26ClN3O/c1-2-19-20-15-17(24)7-10-21(20)26-22(19)23(28)25-12-11-16-5-8-18(9-6-16)27-13-3-4-14-27/h5-10,15,26H,2-4,11-14H2,1H3,(H,25,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB2 receptor expressed in HEK293 cells assessed as stimulation of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50389933
PNG
(CHEMBL2071069)
Show SMILES Cc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C23H26ClN3O/c1-16-20-15-18(24)7-10-21(20)26-22(16)23(28)25-12-11-17-5-8-19(9-6-17)27-13-3-2-4-14-27/h5-10,15,26H,2-4,11-14H2,1H3,(H,25,28)
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n/an/an/an/a 230n/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB1 receptor expressed in HEK293 cells assessed as stimulation of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50389933
PNG
(CHEMBL2071069)
Show SMILES Cc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C23H26ClN3O/c1-16-20-15-18(24)7-10-21(20)26-22(16)23(28)25-12-11-17-5-8-19(9-6-17)27-13-3-2-4-14-27/h5-10,15,26H,2-4,11-14H2,1H3,(H,25,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB2 receptor expressed in HEK293 cells assessed as stimulation of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50389923
PNG
(CHEMBL2071058)
Show SMILES CCc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(cc1)N1CCCC1
Show InChI InChI=1S/C23H26ClN3O/c1-2-19-20-15-17(24)7-10-21(20)26-22(19)23(28)25-12-11-16-5-8-18(9-6-16)27-13-3-4-14-27/h5-10,15,26H,2-4,11-14H2,1H3,(H,25,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB1 receptor expressed in HEK293 cells assessed as stimulation of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50389936
PNG
(CHEMBL2071072)
Show SMILES [O-][N+](=O)c1ccc(CCNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1
Show InChI InChI=1S/C17H14ClN3O3/c18-13-3-6-15-12(9-13)10-16(20-15)17(22)19-8-7-11-1-4-14(5-2-11)21(23)24/h1-6,9-10,20H,7-8H2,(H,19,22)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB1 receptor expressed in HEK293 cells assessed as stimulation of [3H]CP55940 binding

J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%