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PubMed code 25486424

Compile data set for download or QSAR
Found 30 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))
BDBM50180022
PNG
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1 |THB:21:22:26.25:28|
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)
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0.600n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 90: 526-36 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.066
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180036
PNG
((6aR,10aR)-3-(1,1-dimethylbutyl)-6a,7,10,10a-tetra...)
Show SMILES CCCC(C)(C)c1ccc2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13|
Show InChI InChI=1S/C22H32O/c1-7-12-21(3,4)16-9-10-17-18-13-15(2)8-11-19(18)22(5,6)23-20(17)14-16/h8-10,14,18-19H,7,11-13H2,1-6H3/t18-,19+/m0/s1
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3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 90: 526-36 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.066
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50062506
PNG
(CHEMBL3397520)
Show SMILES CCCCc1cc(cc(C(=O)NC2CCCCCC2)c1OC)-c1ccc(OC)cc1
Show InChI InChI=1S/C26H35NO3/c1-4-5-10-20-17-21(19-13-15-23(29-2)16-14-19)18-24(25(20)30-3)26(28)27-22-11-8-6-7-9-12-22/h13-18,22H,4-12H2,1-3H3,(H,27,28)
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11n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Eur J Med Chem 90: 526-36 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.066
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50062508
PNG
(CHEMBL3397522)
Show SMILES CCCCc1cc(cc(C(=O)N[C@@H]2CC[C@H](C)CC2)c1OC)-c1ccc(OC)cc1 |r,wD:12.11,15.15,(-1.6,8.32,;-2.67,7.7,;-2.67,6.16,;-4,5.39,;-4.01,3.85,;-2.67,3.08,;-2.67,1.54,;-4,.77,;-5.34,1.54,;-6.67,.76,;-7.74,1.37,;-6.66,-.78,;-7.99,-1.56,;-7.99,-3.1,;-9.32,-3.87,;-10.66,-3.1,;-11.72,-3.72,;-10.66,-1.56,;-9.33,-.79,;-5.34,3.08,;-6.68,3.84,;-7.74,3.22,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;2.66,-2.78,;,-1.54,;-1.33,-.77,)|
Show InChI InChI=1/C26H35NO3/c1-5-6-7-20-16-21(19-10-14-23(29-3)15-11-19)17-24(25(20)30-4)26(28)27-22-12-8-18(2)9-13-22/h10-11,14-18,22H,5-9,12-13H2,1-4H3,(H,27,28)/t18-,22+
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22n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 90: 526-36 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.066
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50062502
PNG
(CHEMBL3397517)
Show SMILES COc1c(C)cc(cc1C(=O)NC1CCCCCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H26FNO2/c1-15-13-17(16-9-11-18(23)12-10-16)14-20(21(15)26-2)22(25)24-19-7-5-3-4-6-8-19/h9-14,19H,3-8H2,1-2H3,(H,24,25)
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60n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 90: 526-36 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.066
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50062505
PNG
(CHEMBL3397519)
Show SMILES COc1c(C)cc(cc1C(=O)N[C@@H]1CC[C@H](C)CC1)-c1ccc(F)cc1 |r,wD:12.12,15.16,(-7.74,3.22,;-6.68,3.84,;-5.34,3.08,;-4.01,3.85,;-4.01,5.08,;-2.67,3.08,;-2.67,1.54,;-4,.77,;-5.34,1.54,;-6.67,.76,;-7.74,1.37,;-6.66,-.78,;-7.99,-1.56,;-7.99,-3.1,;-9.32,-3.87,;-10.66,-3.1,;-11.72,-3.72,;-10.66,-1.56,;-9.33,-.79,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;2.4,-1.39,;,-1.54,;-1.33,-.77,)|
Show InChI InChI=1/C22H26FNO2/c1-14-4-10-19(11-5-14)24-22(25)20-13-17(12-15(2)21(20)26-3)16-6-8-18(23)9-7-16/h6-9,12-14,19H,4-5,10-11H2,1-3H3,(H,24,25)/t14-,19+
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60n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 90: 526-36 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.066
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50062504
PNG
(CHEMBL3397518)
Show SMILES COc1c(C)cc(cc1C(=O)N[C@H]1CC[C@H](C)CC1)-c1ccc(F)cc1 |r,wU:15.16,wD:12.12,(-7.74,3.22,;-6.68,3.84,;-5.34,3.08,;-4.01,3.85,;-4.01,5.08,;-2.67,3.08,;-2.67,1.54,;-4,.77,;-5.34,1.54,;-6.67,.76,;-7.74,1.37,;-6.66,-.78,;-7.99,-1.56,;-9.33,-.79,;-10.66,-1.56,;-10.66,-3.1,;-11.72,-3.72,;-9.32,-3.87,;-7.99,-3.1,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;2.4,-1.39,;,-1.54,;-1.33,-.77,)|
Show InChI InChI=1/C22H26FNO2/c1-14-4-10-19(11-5-14)24-22(25)20-13-17(12-15(2)21(20)26-3)16-6-8-18(23)9-7-16/h6-9,12-14,19H,4-5,10-11H2,1-3H3,(H,24,25)/t14-,19-
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90n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 90: 526-36 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.066
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50062499
PNG
(CHEMBL3397449)
Show SMILES COc1c(C)cc(cc1C(=O)N[C@H]1CC[C@H](C)CC1)-c1ccccc1 |r,wU:15.16,wD:12.12,(-7.74,3.22,;-6.68,3.84,;-5.34,3.08,;-4.01,3.85,;-4.01,5.08,;-2.67,3.08,;-2.67,1.54,;-4,.77,;-5.34,1.54,;-6.67,.76,;-7.74,1.37,;-6.66,-.78,;-7.99,-1.56,;-9.33,-.79,;-10.66,-1.56,;-10.66,-3.1,;-11.72,-3.72,;-9.32,-3.87,;-7.99,-3.1,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,)|
Show InChI InChI=1/C22H27NO2/c1-15-9-11-19(12-10-15)23-22(24)20-14-18(13-16(2)21(20)25-3)17-7-5-4-6-8-17/h4-8,13-15,19H,9-12H2,1-3H3,(H,23,24)/t15-,19-
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90n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 90: 526-36 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.066
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50062498
PNG
(CHEMBL3397448)
Show SMILES COc1c(C)cc(cc1C(=O)NC1CCCCCC1)-c1ccccc1
Show InChI InChI=1S/C22H27NO2/c1-16-14-18(17-10-6-5-7-11-17)15-20(21(16)25-2)22(24)23-19-12-8-3-4-9-13-19/h5-7,10-11,14-15,19H,3-4,8-9,12-13H2,1-2H3,(H,23,24)
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100n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 90: 526-36 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.066
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50062507
PNG
(CHEMBL3397521)
Show SMILES CCCCc1cc(cc(C(=O)N[C@H]2CC[C@H](C)CC2)c1OC)-c1ccc(OC)cc1 |r,wU:15.15,wD:12.11,(-1.6,8.32,;-2.67,7.7,;-2.67,6.16,;-4,5.39,;-4.01,3.85,;-2.67,3.08,;-2.67,1.54,;-4,.77,;-5.34,1.54,;-6.67,.76,;-7.74,1.37,;-6.66,-.78,;-7.99,-1.56,;-9.33,-.79,;-10.66,-1.56,;-10.66,-3.1,;-11.72,-3.72,;-9.32,-3.87,;-7.99,-3.1,;-5.34,3.08,;-6.68,3.84,;-7.74,3.22,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;2.66,-2.78,;,-1.54,;-1.33,-.77,)|
Show InChI InChI=1/C26H35NO3/c1-5-6-7-20-16-21(19-10-14-23(29-3)15-11-19)17-24(25(20)30-4)26(28)27-22-12-8-18(2)9-13-22/h10-11,14-18,22H,5-9,12-13H2,1-4H3,(H,27,28)/t18-,22-
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143n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 90: 526-36 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.066
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50062501
PNG
(CHEMBL3397450)
Show SMILES COc1c(C)cc(cc1C(=O)N[C@@H]1CC[C@H](C)CC1)-c1ccccc1 |r,wD:12.12,15.16,(-7.74,3.22,;-6.68,3.84,;-5.34,3.08,;-4.01,3.85,;-4.01,5.08,;-2.67,3.08,;-2.67,1.54,;-4,.77,;-5.34,1.54,;-6.67,.76,;-7.74,1.37,;-6.66,-.78,;-7.99,-1.56,;-7.99,-3.1,;-9.32,-3.87,;-10.66,-3.1,;-11.72,-3.72,;-10.66,-1.56,;-9.33,-.79,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,)|
Show InChI InChI=1/C22H27NO2/c1-15-9-11-19(12-10-15)23-22(24)20-14-18(13-16(2)21(20)25-3)17-7-5-4-6-8-17/h4-8,13-15,19H,9-12H2,1-3H3,(H,23,24)/t15-,19+
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150n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 90: 526-36 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.066
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50062502
PNG
(CHEMBL3397517)
Show SMILES COc1c(C)cc(cc1C(=O)NC1CCCCCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H26FNO2/c1-15-13-17(16-9-11-18(23)12-10-16)14-20(21(15)26-2)22(25)24-19-7-5-3-4-6-8-19/h9-14,19H,3-8H2,1-2H3,(H,24,25)
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160n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 90: 526-36 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.066
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50062505
PNG
(CHEMBL3397519)
Show SMILES COc1c(C)cc(cc1C(=O)N[C@@H]1CC[C@H](C)CC1)-c1ccc(F)cc1 |r,wD:12.12,15.16,(-7.74,3.22,;-6.68,3.84,;-5.34,3.08,;-4.01,3.85,;-4.01,5.08,;-2.67,3.08,;-2.67,1.54,;-4,.77,;-5.34,1.54,;-6.67,.76,;-7.74,1.37,;-6.66,-.78,;-7.99,-1.56,;-7.99,-3.1,;-9.32,-3.87,;-10.66,-3.1,;-11.72,-3.72,;-10.66,-1.56,;-9.33,-.79,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;2.4,-1.39,;,-1.54,;-1.33,-.77,)|
Show InChI InChI=1/C22H26FNO2/c1-14-4-10-19(11-5-14)24-22(25)20-13-17(12-15(2)21(20)26-3)16-6-8-18(23)9-7-16/h6-9,12-14,19H,4-5,10-11H2,1-3H3,(H,24,25)/t14-,19+
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180n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 90: 526-36 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.066
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50180022
PNG
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1 |THB:21:22:26.25:28|
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)
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437n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 90: 526-36 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.066
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50062504
PNG
(CHEMBL3397518)
Show SMILES COc1c(C)cc(cc1C(=O)N[C@H]1CC[C@H](C)CC1)-c1ccc(F)cc1 |r,wU:15.16,wD:12.12,(-7.74,3.22,;-6.68,3.84,;-5.34,3.08,;-4.01,3.85,;-4.01,5.08,;-2.67,3.08,;-2.67,1.54,;-4,.77,;-5.34,1.54,;-6.67,.76,;-7.74,1.37,;-6.66,-.78,;-7.99,-1.56,;-9.33,-.79,;-10.66,-1.56,;-10.66,-3.1,;-11.72,-3.72,;-9.32,-3.87,;-7.99,-3.1,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;2.4,-1.39,;,-1.54,;-1.33,-.77,)|
Show InChI InChI=1/C22H26FNO2/c1-14-4-10-19(11-5-14)24-22(25)20-13-17(12-15(2)21(20)26-3)16-6-8-18(23)9-7-16/h6-9,12-14,19H,4-5,10-11H2,1-3H3,(H,24,25)/t14-,19-
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620n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 90: 526-36 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.066
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50180036
PNG
((6aR,10aR)-3-(1,1-dimethylbutyl)-6a,7,10,10a-tetra...)
Show SMILES CCCC(C)(C)c1ccc2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13|
Show InChI InChI=1S/C22H32O/c1-7-12-21(3,4)16-9-10-17-18-13-15(2)8-11-19(18)22(5,6)23-20(17)14-16/h8-10,14,18-19H,7,11-13H2,1-6H3/t18-,19+/m0/s1
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677n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Eur J Med Chem 90: 526-36 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.066
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50062498
PNG
(CHEMBL3397448)
Show SMILES COc1c(C)cc(cc1C(=O)NC1CCCCCC1)-c1ccccc1
Show InChI InChI=1S/C22H27NO2/c1-16-14-18(17-10-6-5-7-11-17)15-20(21(16)25-2)22(24)23-19-12-8-3-4-9-13-19/h5-7,10-11,14-15,19H,3-4,8-9,12-13H2,1-2H3,(H,23,24)
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870n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 90: 526-36 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.066
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50062501
PNG
(CHEMBL3397450)
Show SMILES COc1c(C)cc(cc1C(=O)N[C@@H]1CC[C@H](C)CC1)-c1ccccc1 |r,wD:12.12,15.16,(-7.74,3.22,;-6.68,3.84,;-5.34,3.08,;-4.01,3.85,;-4.01,5.08,;-2.67,3.08,;-2.67,1.54,;-4,.77,;-5.34,1.54,;-6.67,.76,;-7.74,1.37,;-6.66,-.78,;-7.99,-1.56,;-7.99,-3.1,;-9.32,-3.87,;-10.66,-3.1,;-11.72,-3.72,;-10.66,-1.56,;-9.33,-.79,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,)|
Show InChI InChI=1/C22H27NO2/c1-15-9-11-19(12-10-15)23-22(24)20-14-18(13-16(2)21(20)25-3)17-7-5-4-6-8-17/h4-8,13-15,19H,9-12H2,1-3H3,(H,23,24)/t15-,19+
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1.09E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 90: 526-36 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.066
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50062506
PNG
(CHEMBL3397520)
Show SMILES CCCCc1cc(cc(C(=O)NC2CCCCCC2)c1OC)-c1ccc(OC)cc1
Show InChI InChI=1S/C26H35NO3/c1-4-5-10-20-17-21(19-13-15-23(29-2)16-14-19)18-24(25(20)30-3)26(28)27-22-11-8-6-7-9-12-22/h13-18,22H,4-12H2,1-3H3,(H,27,28)
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1.49E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 90: 526-36 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.066
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50062499
PNG
(CHEMBL3397449)
Show SMILES COc1c(C)cc(cc1C(=O)N[C@H]1CC[C@H](C)CC1)-c1ccccc1 |r,wU:15.16,wD:12.12,(-7.74,3.22,;-6.68,3.84,;-5.34,3.08,;-4.01,3.85,;-4.01,5.08,;-2.67,3.08,;-2.67,1.54,;-4,.77,;-5.34,1.54,;-6.67,.76,;-7.74,1.37,;-6.66,-.78,;-7.99,-1.56,;-9.33,-.79,;-10.66,-1.56,;-10.66,-3.1,;-11.72,-3.72,;-9.32,-3.87,;-7.99,-3.1,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,)|
Show InChI InChI=1/C22H27NO2/c1-15-9-11-19(12-10-15)23-22(24)20-14-18(13-16(2)21(20)25-3)17-7-5-4-6-8-17/h4-8,13-15,19H,9-12H2,1-3H3,(H,23,24)/t15-,19-
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1.53E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 90: 526-36 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.066
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50062508
PNG
(CHEMBL3397522)
Show SMILES CCCCc1cc(cc(C(=O)N[C@@H]2CC[C@H](C)CC2)c1OC)-c1ccc(OC)cc1 |r,wD:12.11,15.15,(-1.6,8.32,;-2.67,7.7,;-2.67,6.16,;-4,5.39,;-4.01,3.85,;-2.67,3.08,;-2.67,1.54,;-4,.77,;-5.34,1.54,;-6.67,.76,;-7.74,1.37,;-6.66,-.78,;-7.99,-1.56,;-7.99,-3.1,;-9.32,-3.87,;-10.66,-3.1,;-11.72,-3.72,;-10.66,-1.56,;-9.33,-.79,;-5.34,3.08,;-6.68,3.84,;-7.74,3.22,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;2.66,-2.78,;,-1.54,;-1.33,-.77,)|
Show InChI InChI=1/C26H35NO3/c1-5-6-7-20-16-21(19-10-14-23(29-3)15-11-19)17-24(25(20)30-4)26(28)27-22-12-8-18(2)9-13-22/h10-11,14-18,22H,5-9,12-13H2,1-4H3,(H,27,28)/t18-,22+
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1.55E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 90: 526-36 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.066
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50062507
PNG
(CHEMBL3397521)
Show SMILES CCCCc1cc(cc(C(=O)N[C@H]2CC[C@H](C)CC2)c1OC)-c1ccc(OC)cc1 |r,wU:15.15,wD:12.11,(-1.6,8.32,;-2.67,7.7,;-2.67,6.16,;-4,5.39,;-4.01,3.85,;-2.67,3.08,;-2.67,1.54,;-4,.77,;-5.34,1.54,;-6.67,.76,;-7.74,1.37,;-6.66,-.78,;-7.99,-1.56,;-9.33,-.79,;-10.66,-1.56,;-10.66,-3.1,;-11.72,-3.72,;-9.32,-3.87,;-7.99,-3.1,;-5.34,3.08,;-6.68,3.84,;-7.74,3.22,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;2.66,-2.78,;,-1.54,;-1.33,-.77,)|
Show InChI InChI=1/C26H35NO3/c1-5-6-7-20-16-21(19-10-14-23(29-3)15-11-19)17-24(25(20)30-4)26(28)27-22-12-8-18(2)9-13-22/h10-11,14-18,22H,5-9,12-13H2,1-4H3,(H,27,28)/t18-,22-
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2.29E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 90: 526-36 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.066
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50062494
PNG
(CHEMBL3397445)
Show SMILES COc1ccc(cc1)-c1cc(C)c(OC)c(c1)C(=O)NC1CCCCCC1
Show InChI InChI=1S/C23H29NO3/c1-16-14-18(17-10-12-20(26-2)13-11-17)15-21(22(16)27-3)23(25)24-19-8-6-4-5-7-9-19/h10-15,19H,4-9H2,1-3H3,(H,24,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 90: 526-36 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.066
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50062496
PNG
(CHEMBL3397446)
Show SMILES COc1ccc(cc1)-c1cc(C)c(OC)c(c1)C(=O)N[C@H]1CC[C@H](C)CC1 |r,wU:23.25,wD:20.21,(2.66,-2.78,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-2.67,1.54,;-2.67,3.08,;-4.01,3.85,;-4.01,5.08,;-5.34,3.08,;-6.68,3.84,;-7.74,3.22,;-5.34,1.54,;-4,.77,;-6.67,.76,;-7.74,1.37,;-6.66,-.78,;-7.99,-1.56,;-9.33,-.79,;-10.66,-1.56,;-10.66,-3.1,;-11.72,-3.72,;-9.32,-3.87,;-7.99,-3.1,)|
Show InChI InChI=1/C23H29NO3/c1-15-5-9-19(10-6-15)24-23(25)21-14-18(13-16(2)22(21)27-4)17-7-11-20(26-3)12-8-17/h7-8,11-15,19H,5-6,9-10H2,1-4H3,(H,24,25)/t15-,19-
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 90: 526-36 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.066
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50062497
PNG
(CHEMBL3397447)
Show SMILES COc1ccc(cc1)-c1cc(C)c(OC)c(c1)C(=O)N[C@@H]1CC[C@H](C)CC1 |r,wD:20.21,23.25,(2.66,-2.78,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-2.67,1.54,;-2.67,3.08,;-4.01,3.85,;-4.01,5.08,;-5.34,3.08,;-6.68,3.84,;-7.74,3.22,;-5.34,1.54,;-4,.77,;-6.67,.76,;-7.74,1.37,;-6.66,-.78,;-7.99,-1.56,;-7.99,-3.1,;-9.32,-3.87,;-10.66,-3.1,;-11.72,-3.72,;-10.66,-1.56,;-9.33,-.79,)|
Show InChI InChI=1/C23H29NO3/c1-15-5-9-19(10-6-15)24-23(25)21-14-18(13-16(2)22(21)27-4)17-7-11-20(26-3)12-8-17/h7-8,11-15,19H,5-6,9-10H2,1-4H3,(H,24,25)/t15-,19+
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 90: 526-36 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.066
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50062494
PNG
(CHEMBL3397445)
Show SMILES COc1ccc(cc1)-c1cc(C)c(OC)c(c1)C(=O)NC1CCCCCC1
Show InChI InChI=1S/C23H29NO3/c1-16-14-18(17-10-12-20(26-2)13-11-17)15-21(22(16)27-3)23(25)24-19-8-6-4-5-7-9-19/h10-15,19H,4-9H2,1-3H3,(H,24,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 90: 526-36 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.066
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50062496
PNG
(CHEMBL3397446)
Show SMILES COc1ccc(cc1)-c1cc(C)c(OC)c(c1)C(=O)N[C@H]1CC[C@H](C)CC1 |r,wU:23.25,wD:20.21,(2.66,-2.78,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-2.67,1.54,;-2.67,3.08,;-4.01,3.85,;-4.01,5.08,;-5.34,3.08,;-6.68,3.84,;-7.74,3.22,;-5.34,1.54,;-4,.77,;-6.67,.76,;-7.74,1.37,;-6.66,-.78,;-7.99,-1.56,;-9.33,-.79,;-10.66,-1.56,;-10.66,-3.1,;-11.72,-3.72,;-9.32,-3.87,;-7.99,-3.1,)|
Show InChI InChI=1/C23H29NO3/c1-15-5-9-19(10-6-15)24-23(25)21-14-18(13-16(2)22(21)27-4)17-7-11-20(26-3)12-8-17/h7-8,11-15,19H,5-6,9-10H2,1-4H3,(H,24,25)/t15-,19-
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 90: 526-36 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.066
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50062497
PNG
(CHEMBL3397447)
Show SMILES COc1ccc(cc1)-c1cc(C)c(OC)c(c1)C(=O)N[C@@H]1CC[C@H](C)CC1 |r,wD:20.21,23.25,(2.66,-2.78,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-2.67,1.54,;-2.67,3.08,;-4.01,3.85,;-4.01,5.08,;-5.34,3.08,;-6.68,3.84,;-7.74,3.22,;-5.34,1.54,;-4,.77,;-6.67,.76,;-7.74,1.37,;-6.66,-.78,;-7.99,-1.56,;-7.99,-3.1,;-9.32,-3.87,;-10.66,-3.1,;-11.72,-3.72,;-10.66,-1.56,;-9.33,-.79,)|
Show InChI InChI=1/C23H29NO3/c1-15-5-9-19(10-6-15)24-23(25)21-14-18(13-16(2)22(21)27-4)17-7-11-20(26-3)12-8-17/h7-8,11-15,19H,5-6,9-10H2,1-4H3,(H,24,25)/t15-,19+
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 90: 526-36 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.066
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50062502
PNG
(CHEMBL3397517)
Show SMILES COc1c(C)cc(cc1C(=O)NC1CCCCCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H26FNO2/c1-15-13-17(16-9-11-18(23)12-10-16)14-20(21(15)26-2)22(25)24-19-7-5-3-4-6-8-19/h9-14,19H,3-8H2,1-2H3,(H,24,25)
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n/an/an/an/a 398n/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 90: 526-36 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.066
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50062505
PNG
(CHEMBL3397519)
Show SMILES COc1c(C)cc(cc1C(=O)N[C@@H]1CC[C@H](C)CC1)-c1ccc(F)cc1 |r,wD:12.12,15.16,(-7.74,3.22,;-6.68,3.84,;-5.34,3.08,;-4.01,3.85,;-4.01,5.08,;-2.67,3.08,;-2.67,1.54,;-4,.77,;-5.34,1.54,;-6.67,.76,;-7.74,1.37,;-6.66,-.78,;-7.99,-1.56,;-7.99,-3.1,;-9.32,-3.87,;-10.66,-3.1,;-11.72,-3.72,;-10.66,-1.56,;-9.33,-.79,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;2.4,-1.39,;,-1.54,;-1.33,-.77,)|
Show InChI InChI=1/C22H26FNO2/c1-14-4-10-19(11-5-14)24-22(25)20-13-17(12-15(2)21(20)26-3)16-6-8-18(23)9-7-16/h6-9,12-14,19H,4-5,10-11H2,1-3H3,(H,24,25)/t14-,19+
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n/an/an/an/a 398n/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 90: 526-36 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.066
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%