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PubMed code 28726401

Compile data set for download or QSAR
Found 55 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))		BDBM50257608
PNG
(CHEMBL4086928)
Show SMILES COc1cccc2c(cn(CCN3CCOCC3)c12)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:26:23.24.29:30,THB:25:24:30:31.26.27,27:26:23:29.28.30,27:28:23:31.25.26|
Show InChI InChI=1S/C26H35N3O3/c1-31-23-4-2-3-21-22(17-29(24(21)23)6-5-28-7-9-32-10-8-28)25(30)27-26-14-18-11-19(15-26)13-20(12-18)16-26/h2-4,17-20H,5-16H2,1H3,(H,27,30)
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n/an/a 16n/an/an/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50257607
PNG
(CHEMBL4104806)
Show SMILES CSc1cccc2c(cn(CCN3CCOCC3)c12)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:26:23.24.29:30,THB:25:24:30:31.26.27,27:26:23:29.28.30,27:28:23:31.25.26|
Show InChI InChI=1S/C26H35N3O2S/c1-32-23-4-2-3-21-22(17-29(24(21)23)6-5-28-7-9-31-10-8-28)25(30)27-26-14-18-11-19(15-26)13-20(12-18)16-26/h2-4,17-20H,5-16H2,1H3,(H,27,30)
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n/an/a 28n/an/an/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50257660
PNG
(CHEMBL4073323)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cn(CCN2CCOCC2)c2ccccc12 |TLB:6:7:4.5.10:11,THB:6:5:11:12.7.8,8:7:4:10.9.11,8:9:4:12.6.7|
Show InChI InChI=1S/C25H33N3O2/c29-24(26-25-14-18-11-19(15-25)13-20(12-18)16-25)22-17-28(23-4-2-1-3-21(22)23)6-5-27-7-9-30-10-8-27/h1-4,17-20H,5-16H2,(H,26,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50257715
PNG
(CHEMBL4060372)
Show SMILES O=CCCCCn1c(cc2ccccc12)C(=O)NC12CC3CC(CC(C3)C1)C2 |THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24|
Show InChI InChI=1S/C24H30N2O2/c27-9-5-1-4-8-26-21-7-3-2-6-20(21)13-22(26)23(28)25-24-14-17-10-18(15-24)12-19(11-17)16-24/h2-3,6-7,9,13,17-19H,1,4-5,8,10-12,14-16H2,(H,25,28)
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n/an/an/an/a 180n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50257744
PNG
(CHEMBL4078172)
Show SMILES FC(F)(F)CCCn1c(cc2ccccc12)C(=O)NC12CC3CC(CC(C3)C1)C2 |THB:24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25|
Show InChI InChI=1S/C23H27F3N2O/c24-23(25,26)6-3-7-28-19-5-2-1-4-18(19)11-20(28)21(29)27-22-12-15-8-16(13-22)10-17(9-15)14-22/h1-2,4-5,11,15-17H,3,6-10,12-14H2,(H,27,29)
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n/an/an/an/a 490n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50257659
PNG
(CHEMBL4104511)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc12 |TLB:14:15:12.13.18:19,THB:14:13:19:20.15.16,16:15:12:18.17.19,16:17:12:20.14.15|
Show InChI InChI=1S/C24H32N2O/c1-2-3-6-9-26-16-21(20-7-4-5-8-22(20)26)23(27)25-24-13-17-10-18(14-24)12-19(11-17)15-24/h4-5,7-8,16-19H,2-3,6,9-15H2,1H3,(H,25,27)
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n/an/an/an/a 29n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Agonist activity at human N-terminal HA-tagged CB2 receptor expressed in mouse AtT20 cells by FLIPR membrane potential assay

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50257657
PNG
(CHEMBL4097158)
Show SMILES OCCCCn1c(cc2ccccc12)C(=O)NC12CC3CC(CC(C3)C1)C2 |THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
Show InChI InChI=1S/C23H30N2O2/c26-8-4-3-7-25-20-6-2-1-5-19(20)12-21(25)22(27)24-23-13-16-9-17(14-23)11-18(10-16)15-23/h1-2,5-6,12,16-18,26H,3-4,7-11,13-15H2,(H,24,27)
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n/an/an/an/a 142n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation preincubated for 20 mins ...

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50257676
PNG
(CHEMBL4100174)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1c[nH]c2ccccc12 |TLB:6:7:4.5.10:11,THB:6:5:11:12.7.8,8:7:4:10.9.11,8:9:4:12.6.7|
Show InChI InChI=1S/C19H22N2O/c22-18(16-11-20-17-4-2-1-3-15(16)17)21-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,11-14,20H,5-10H2,(H,21,22)
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n/an/an/an/a 630n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50257677
PNG
(CHEMBL4102381)
Show SMILES Cc1cccc2c(c[nH]c12)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:16:17:14.15.20:21,THB:16:15:21:22.17.18,18:17:14:20.19.21,18:19:14:22.16.17|
Show InChI InChI=1S/C20H24N2O/c1-12-3-2-4-16-17(11-21-18(12)16)19(23)22-20-8-13-5-14(9-20)7-15(6-13)10-20/h2-4,11,13-15,21H,5-10H2,1H3,(H,22,23)
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n/an/an/an/a 500n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50257681
PNG
(CHEMBL4102975)
Show SMILES CCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r|
Show InChI InChI=1S/C22H36O3/c1-4-5-12-22(2,3)17-9-11-19(21(25)14-17)20-15-18(24)10-8-16(20)7-6-13-23/h9,11,14,16,18,20,23-25H,4-8,10,12-13,15H2,1-3H3/t16-,18-,20-/m1/s1
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n/an/an/an/a 85n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50257703
PNG
(CHEMBL4086064)
Show SMILES OC(=O)CCCCn1c(cc2ccccc12)C(=O)NC12CC3CC(CC(C3)C1)C2 |THB:24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25|
Show InChI InChI=1S/C24H30N2O3/c27-22(28)7-3-4-8-26-20-6-2-1-5-19(20)12-21(26)23(29)25-24-13-16-9-17(14-24)11-18(10-16)15-24/h1-2,5-6,12,16-18H,3-4,7-11,13-15H2,(H,25,29)(H,27,28)
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n/an/an/an/a 7.13E+3n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50257709
PNG
(CHEMBL4102443)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2ccccc2n1CC1CCOCC1 |THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9|
Show InChI InChI=1S/C25H32N2O2/c28-24(26-25-13-18-9-19(14-25)11-20(10-18)15-25)23-12-21-3-1-2-4-22(21)27(23)16-17-5-7-29-8-6-17/h1-4,12,17-20H,5-11,13-16H2,(H,26,28)
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n/an/an/an/a 410n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50257714
PNG
(CHEMBL4071769)
Show SMILES OCCCCCn1c(C(=O)NC23CC4CC(CC(C4)C2)C3)c(F)c2ccccc12 |THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17|
Show InChI InChI=1S/C24H31FN2O2/c25-21-19-6-2-3-7-20(19)27(8-4-1-5-9-28)22(21)23(29)26-24-13-16-10-17(14-24)12-18(11-16)15-24/h2-3,6-7,16-18,28H,1,4-5,8-15H2,(H,26,29)
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n/an/an/an/a 610n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50257718
PNG
(CHEMBL4097844)
Show SMILES NCCCCn1c(cc2ccccc12)C(=O)NC12CC3CC(CC(C3)C1)C2 |THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
Show InChI InChI=1S/C23H31N3O/c24-7-3-4-8-26-20-6-2-1-5-19(20)12-21(26)22(27)25-23-13-16-9-17(14-23)11-18(10-16)15-23/h1-2,5-6,12,16-18H,3-4,7-11,13-15,24H2,(H,25,27)
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n/an/an/an/a 4.70E+3n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50257659
PNG
(CHEMBL4104511)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc12 |TLB:14:15:12.13.18:19,THB:14:13:19:20.15.16,16:15:12:18.17.19,16:17:12:20.14.15|
Show InChI InChI=1S/C24H32N2O/c1-2-3-6-9-26-16-21(20-7-4-5-8-22(20)26)23(27)25-24-13-17-10-18(14-24)12-19(11-17)15-24/h4-5,7-8,16-19H,2-3,6,9-15H2,1H3,(H,25,27)
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n/an/an/an/a 59n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50257739
PNG
(CHEMBL4088147)
Show SMILES CCCCCn1cc(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc12 |TLB:13:14:11.12.17:18,THB:13:12:18:19.14.15,15:14:11:17.16.18,15:16:11:19.13.14|
Show InChI InChI=1S/C24H31NO/c1-2-3-6-9-25-16-21(20-7-4-5-8-22(20)25)23(26)24-13-17-10-18(14-24)12-19(11-17)15-24/h4-5,7-8,16-19H,2-3,6,9-15H2,1H3
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n/an/an/an/a 35n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Agonist activity at rat CB1 receptor expressed in mouse AtT20 cells by FLIPR membrane potential assay

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50257740
PNG
(CHEMBL4066866)
Show SMILES CCCCCn1cc(C(=O)CC23CC4CC(CC(C4)C2)C3)c2ccccc12 |TLB:14:15:12.13.18:19,THB:14:13:19:20.15.16,16:15:12:18.17.19,16:17:12:20.14.15|
Show InChI InChI=1S/C25H33NO/c1-2-3-6-9-26-17-22(21-7-4-5-8-23(21)26)24(27)16-25-13-18-10-19(14-25)12-20(11-18)15-25/h4-5,7-8,17-20H,2-3,6,9-16H2,1H3
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n/an/an/an/a 29n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Agonist activity at human N-terminal HA-tagged CB2 receptor expressed in mouse AtT20 cells by FLIPR membrane potential assay

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50257674
PNG
(CHEMBL4066155)
Show SMILES OCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc12 |TLB:14:15:12.13.18:19,THB:14:13:19:20.15.16,16:15:12:18.17.19,16:17:12:20.14.15|
Show InChI InChI=1S/C23H30N2O2/c26-8-4-3-7-25-15-20(19-5-1-2-6-21(19)25)22(27)24-23-12-16-9-17(13-23)11-18(10-16)14-23/h1-2,5-6,15-18,26H,3-4,7-14H2,(H,24,27)
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n/an/an/an/a 160n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50257678
PNG
(CHEMBL4078111)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cn(CC2CCOCC2)c2ccccc12 |TLB:6:7:4.5.10:11,THB:6:5:11:12.7.8,8:7:4:10.9.11,8:9:4:12.6.7|
Show InChI InChI=1S/C25H32N2O2/c28-24(26-25-12-18-9-19(13-25)11-20(10-18)14-25)22-16-27(15-17-5-7-29-8-6-17)23-4-2-1-3-21(22)23/h1-4,16-20H,5-15H2,(H,26,28)
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n/an/an/an/a 84n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO cells assessed as induction of Ca2+ flux after 10 mins by Fluor-4 AM dye based assay

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50257674
PNG
(CHEMBL4066155)
Show SMILES OCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc12 |TLB:14:15:12.13.18:19,THB:14:13:19:20.15.16,16:15:12:18.17.19,16:17:12:20.14.15|
Show InChI InChI=1S/C23H30N2O2/c26-8-4-3-7-25-15-20(19-5-1-2-6-21(19)25)22(27)24-23-12-16-9-17(13-23)11-18(10-16)14-23/h1-2,5-6,15-18,26H,3-4,7-14H2,(H,24,27)
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n/an/an/an/a 1.30E+4n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO cells assessed as induction of Ca2+ flux after 10 mins by Fluor-4 AM dye based assay

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50257660
PNG
(CHEMBL4073323)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cn(CCN2CCOCC2)c2ccccc12 |TLB:6:7:4.5.10:11,THB:6:5:11:12.7.8,8:7:4:10.9.11,8:9:4:12.6.7|
Show InChI InChI=1S/C25H33N3O2/c29-24(26-25-14-18-11-19(15-25)13-20(12-18)16-25)22-17-28(23-4-2-1-3-21(22)23)6-5-27-7-9-30-10-8-27/h1-4,17-20H,5-16H2,(H,26,29)
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n/an/an/an/a 59n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as induction of Ca2+ flux after 10 mins by Fluor-4 AM dye based assay

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50257675
PNG
(CHEMBL4079650)
Show SMILES OCCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc12 |TLB:15:16:13.14.19:20,THB:15:14:20:21.16.17,17:16:13:19.18.20,17:18:13:21.15.16|
Show InChI InChI=1S/C24H32N2O2/c27-9-5-1-4-8-26-16-21(20-6-2-3-7-22(20)26)23(28)25-24-13-17-10-18(14-24)12-19(11-17)15-24/h2-3,6-7,16-19,27H,1,4-5,8-15H2,(H,25,28)
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n/an/an/an/a 62n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50257712
PNG
(CHEMBL4073127)
Show SMILES OCCCn1c(cc2ccccc12)C(=O)NC12CC3CC(CC(C3)C1)C2 |THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22|
Show InChI InChI=1S/C22H28N2O2/c25-7-3-6-24-19-5-2-1-4-18(19)11-20(24)21(26)23-22-12-15-8-16(13-22)10-17(9-15)14-22/h1-2,4-5,11,15-17,25H,3,6-10,12-14H2,(H,23,26)
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n/an/an/an/a 160n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50257713
PNG
(CHEMBL4079140)
Show SMILES OCCCCCn1c(cc2ccccc12)C(=O)NC12CC3CC(CC(C3)C1)C2 |THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24|
Show InChI InChI=1S/C24H32N2O2/c27-9-5-1-4-8-26-21-7-3-2-6-20(21)13-22(26)23(28)25-24-14-17-10-18(15-24)12-19(11-17)16-24/h2-3,6-7,13,17-19,27H,1,4-5,8-12,14-16H2,(H,25,28)
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n/an/an/an/a 100n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50257745
PNG
(CHEMBL4093817)
Show SMILES Fc1c([nH]c2ccccc12)C(=O)NC12CC3CC(CC(C3)C1)C2 |THB:18:17:14:20.19.21,18:19:16.17.22:14,21:19:16:22.13.14,21:13:16:20.18.19|
Show InChI InChI=1S/C19H21FN2O/c20-16-14-3-1-2-4-15(14)21-17(16)18(23)22-19-8-11-5-12(9-19)7-13(6-11)10-19/h1-4,11-13,21H,5-10H2,(H,22,23)
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n/an/an/an/a 3.80E+3n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50257660
PNG
(CHEMBL4073323)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cn(CCN2CCOCC2)c2ccccc12 |TLB:6:7:4.5.10:11,THB:6:5:11:12.7.8,8:7:4:10.9.11,8:9:4:12.6.7|
Show InChI InChI=1S/C25H33N3O2/c29-24(26-25-14-18-11-19(15-25)13-20(12-18)16-25)22-17-28(23-4-2-1-3-21(22)23)6-5-27-7-9-30-10-8-27/h1-4,17-20H,5-16H2,(H,26,29)
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n/an/an/an/a 3.30E+3n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO cells assessed as induction of Ca2+ flux after 10 mins by Fluor-4 AM dye based assay

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50257739
PNG
(CHEMBL4088147)
Show SMILES CCCCCn1cc(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc12 |TLB:13:14:11.12.17:18,THB:13:12:18:19.14.15,15:14:11:17.16.18,15:16:11:19.13.14|
Show InChI InChI=1S/C24H31NO/c1-2-3-6-9-25-16-21(20-7-4-5-8-22(20)25)23(26)24-13-17-10-18(14-24)12-19(11-17)15-24/h4-5,7-8,16-19H,2-3,6,9-15H2,1H3
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n/an/an/an/a 29n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Agonist activity at human N-terminal HA-tagged CB2 receptor expressed in mouse AtT20 cells by FLIPR membrane potential assay

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50257741
PNG
(CHEMBL4090311)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cn(CC#N)c2ccccc12 |TLB:6:7:4.5.10:11,THB:6:5:11:12.7.8,8:7:4:10.9.11,8:9:4:12.6.7|
Show InChI InChI=1S/C21H23N3O/c22-5-6-24-13-18(17-3-1-2-4-19(17)24)20(25)23-21-10-14-7-15(11-21)9-16(8-14)12-21/h1-4,13-16H,6-12H2,(H,23,25)
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n/an/an/an/a 410n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50257743
PNG
(CHEMBL4080556)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2ccccc2n1CCCCC#N |THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9|
Show InChI InChI=1S/C24H29N3O/c25-8-4-1-5-9-27-21-7-3-2-6-20(21)13-22(27)23(28)26-24-14-17-10-18(15-24)12-19(11-17)16-24/h2-3,6-7,13,17-19H,1,4-5,9-12,14-16H2,(H,26,28)
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n/an/an/an/a 75n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50257756
PNG
(CHEMBL4082277)
Show SMILES FC(F)CCCCn1c(cc2ccccc12)C(=O)NC12CC3CC(CC(C3)C1)C2 |THB:24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25|
Show InChI InChI=1S/C24H30F2N2O/c25-22(26)7-3-4-8-28-20-6-2-1-5-19(20)12-21(28)23(29)27-24-13-16-9-17(14-24)11-18(10-16)15-24/h1-2,5-6,12,16-18,22H,3-4,7-11,13-15H2,(H,27,29)
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n/an/an/an/a 92n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50257681
PNG
(CHEMBL4102975)
Show SMILES CCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r|
Show InChI InChI=1S/C22H36O3/c1-4-5-12-22(2,3)17-9-11-19(21(25)14-17)20-15-18(24)10-8-16(20)7-6-13-23/h9,11,14,16,18,20,23-25H,4-8,10,12-13,15H2,1-3H3/t16-,18-,20-/m1/s1
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n/an/an/an/a 22n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO cells assessed as induction of Ca2+ flux after 10 mins by Fluor-4 AM dye based assay

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50257673
PNG
(CHEMBL4087526)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cn(CCCC#N)c2ccccc12 |TLB:6:7:4.5.10:11,THB:6:5:11:12.7.8,8:7:4:10.9.11,8:9:4:12.6.7|
Show InChI InChI=1S/C23H27N3O/c24-7-3-4-8-26-15-20(19-5-1-2-6-21(19)26)22(27)25-23-12-16-9-17(13-23)11-18(10-16)14-23/h1-2,5-6,15-18H,3-4,8-14H2,(H,25,27)
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n/an/an/an/a 630n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO cells assessed as induction of Ca2+ flux after 10 mins by Fluor-4 AM dye based assay

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50257657
PNG
(CHEMBL4097158)
Show SMILES OCCCCn1c(cc2ccccc12)C(=O)NC12CC3CC(CC(C3)C1)C2 |THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
Show InChI InChI=1S/C23H30N2O2/c26-8-4-3-7-25-20-6-2-1-5-19(20)12-21(25)22(27)24-23-13-16-9-17(14-23)11-18(10-16)15-23/h1-2,5-6,12,16-18,26H,3-4,7-11,13-15H2,(H,24,27)
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n/an/an/an/a 120n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as induction of Ca2+ flux after 10 mins by Fluor-4 AM dye based assay

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50257608
PNG
(CHEMBL4086928)
Show SMILES COc1cccc2c(cn(CCN3CCOCC3)c12)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:26:23.24.29:30,THB:25:24:30:31.26.27,27:26:23:29.28.30,27:28:23:31.25.26|
Show InChI InChI=1S/C26H35N3O3/c1-31-23-4-2-3-21-22(17-29(24(21)23)6-5-28-7-9-32-10-8-28)25(30)27-26-14-18-11-19(15-26)13-20(12-18)16-26/h2-4,17-20H,5-16H2,1H3,(H,27,30)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50257659
PNG
(CHEMBL4104511)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc12 |TLB:14:15:12.13.18:19,THB:14:13:19:20.15.16,16:15:12:18.17.19,16:17:12:20.14.15|
Show InChI InChI=1S/C24H32N2O/c1-2-3-6-9-26-16-21(20-7-4-5-8-22(20)26)23(27)25-24-13-17-10-18(14-24)12-19(11-17)15-24/h4-5,7-8,16-19H,2-3,6,9-15H2,1H3,(H,25,27)
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n/an/an/an/a 39n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO cells assessed as induction of Ca2+ flux after 10 mins by Fluor-4 AM dye based assay

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50257675
PNG
(CHEMBL4079650)
Show SMILES OCCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc12 |TLB:15:16:13.14.19:20,THB:15:14:20:21.16.17,17:16:13:19.18.20,17:18:13:21.15.16|
Show InChI InChI=1S/C24H32N2O2/c27-9-5-1-4-8-26-16-21(20-6-2-3-7-22(20)26)23(28)25-24-13-17-10-18(14-24)12-19(11-17)15-24/h2-3,6-7,16-19,27H,1,4-5,8-15H2,(H,25,28)
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n/an/an/an/a 4.10E+3n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO cells assessed as induction of Ca2+ flux after 10 mins by Fluor-4 AM dye based assay

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50257607
PNG
(CHEMBL4104806)
Show SMILES CSc1cccc2c(cn(CCN3CCOCC3)c12)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:26:23.24.29:30,THB:25:24:30:31.26.27,27:26:23:29.28.30,27:28:23:31.25.26|
Show InChI InChI=1S/C26H35N3O2S/c1-32-23-4-2-3-21-22(17-29(24(21)23)6-5-28-7-9-31-10-8-28)25(30)27-26-14-18-11-19(15-26)13-20(12-18)16-26/h2-4,17-20H,5-16H2,1H3,(H,27,30)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50257673
PNG
(CHEMBL4087526)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cn(CCCC#N)c2ccccc12 |TLB:6:7:4.5.10:11,THB:6:5:11:12.7.8,8:7:4:10.9.11,8:9:4:12.6.7|
Show InChI InChI=1S/C23H27N3O/c24-7-3-4-8-26-15-20(19-5-1-2-6-21(19)26)22(27)25-23-12-16-9-17(13-23)11-18(10-16)14-23/h1-2,5-6,15-18H,3-4,8-14H2,(H,25,27)
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n/an/an/an/a 31n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50257659
PNG
(CHEMBL4104511)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc12 |TLB:14:15:12.13.18:19,THB:14:13:19:20.15.16,16:15:12:18.17.19,16:17:12:20.14.15|
Show InChI InChI=1S/C24H32N2O/c1-2-3-6-9-26-16-21(20-7-4-5-8-22(20)26)23(27)25-24-13-17-10-18(14-24)12-19(11-17)15-24/h4-5,7-8,16-19H,2-3,6,9-15H2,1H3,(H,25,27)
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n/an/an/an/a 34n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Agonist activity at rat CB1 receptor expressed in mouse AtT20 cells by FLIPR membrane potential assay

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50257672
PNG
(CHEMBL4067184)
Show SMILES Cc1cccc2c(cn(CCN3CCOCC3)c12)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:24:25:22.23.28:29,THB:24:23:29:30.25.26,26:25:22:28.27.29,26:27:22:30.24.25|
Show InChI InChI=1S/C26H35N3O2/c1-18-3-2-4-22-23(17-29(24(18)22)6-5-28-7-9-31-10-8-28)25(30)27-26-14-19-11-20(15-26)13-21(12-19)16-26/h2-4,17,19-21H,5-16H2,1H3,(H,27,30)
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n/an/an/an/a 6.70E+3n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO cells assessed as induction of Ca2+ flux after 10 mins by Fluor-4 AM dye based assay

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50257711
PNG
(CHEMBL4083541)
Show SMILES O=C(Nc1ccccc1)c1cc2ccccc2n1CCCCC#N
Show InChI InChI=1S/C20H19N3O/c21-13-7-2-8-14-23-18-12-6-5-9-16(18)15-19(23)20(24)22-17-10-3-1-4-11-17/h1,3-6,9-12,15H,2,7-8,14H2,(H,22,24)
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n/an/an/an/a 200n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50257717
PNG
(CHEMBL4079817)
Show SMILES OCCCCCn1c(cc2ccccc12)C(=O)NC1CCCCC1
Show InChI InChI=1S/C20H28N2O2/c23-14-8-2-7-13-22-18-12-6-5-9-16(18)15-19(22)20(24)21-17-10-3-1-4-11-17/h5-6,9,12,15,17,23H,1-4,7-8,10-11,13-14H2,(H,21,24)
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n/an/an/an/a 420n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50257746
PNG
(CHEMBL4098779)
Show SMILES OCCCCn1c(C(=O)NC23CC4CC(CC(C4)C2)C3)c(F)c2ccccc12 |THB:15:14:11:17.16.18,15:16:13.14.19:11,18:16:13:19.10.11,18:10:13:17.15.16|
Show InChI InChI=1S/C23H29FN2O2/c24-20-18-5-1-2-6-19(18)26(7-3-4-8-27)21(20)22(28)25-23-12-15-9-16(13-23)11-17(10-15)14-23/h1-2,5-6,15-17,27H,3-4,7-14H2,(H,25,28)
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n/an/an/an/a 410n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50257763
PNG
(CHEMBL4064199)
Show SMILES NCCCCCn1c(cc2ccccc12)C(=O)NC12CC3CC(CC(C3)C1)C2 |THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24|
Show InChI InChI=1S/C24H33N3O/c25-8-4-1-5-9-27-21-7-3-2-6-20(21)13-22(27)23(28)26-24-14-17-10-18(15-24)12-19(11-17)16-24/h2-3,6-7,13,17-19H,1,4-5,8-12,14-16,25H2,(H,26,28)
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n/an/an/an/a 8.60E+3n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50257679
PNG
(CHEMBL4062303)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cn(CCC#N)c2ccccc12 |TLB:6:7:4.5.10:11,THB:6:5:11:12.7.8,8:7:4:10.9.11,8:9:4:12.6.7|
Show InChI InChI=1S/C22H25N3O/c23-6-3-7-25-14-19(18-4-1-2-5-20(18)25)21(26)24-22-11-15-8-16(12-22)10-17(9-15)13-22/h1-2,4-5,14-17H,3,7-13H2,(H,24,26)
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n/an/an/an/a 180n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50257680
PNG
(CHEMBL4103902)
Show SMILES COCCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc12 |TLB:16:17:14.15.20:21,THB:16:15:21:22.17.18,18:17:14:20.19.21,18:19:14:22.16.17|
Show InChI InChI=1S/C25H34N2O2/c1-29-10-6-2-5-9-27-17-22(21-7-3-4-8-23(21)27)24(28)26-25-14-18-11-19(15-25)13-20(12-18)16-25/h3-4,7-8,17-20H,2,5-6,9-16H2,1H3,(H,26,28)
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n/an/an/an/a 82n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50257701
PNG
(CHEMBL4077571)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2ccccc2n1CCC#N |THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9|
Show InChI InChI=1S/C22H25N3O/c23-6-3-7-25-19-5-2-1-4-18(19)11-20(25)21(26)24-22-12-15-8-16(13-22)10-17(9-15)14-22/h1-2,4-5,11,15-17H,3,7-10,12-14H2,(H,24,26)
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n/an/an/an/a 150n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50257702
PNG
(CHEMBL4098592)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2ccccc2n1CCCC#N |THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9|
Show InChI InChI=1S/C23H27N3O/c24-7-3-4-8-26-20-6-2-1-5-19(20)12-21(26)22(27)25-23-13-16-9-17(14-23)11-18(10-16)15-23/h1-2,5-6,12,16-18H,3-4,8-11,13-15H2,(H,25,27)
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n/an/an/an/a 270n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50257710
PNG
(CHEMBL4101539)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2ccccc2n1CCN1CCOC1=O |THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9|
Show InChI InChI=1S/C24H29N3O3/c28-22(25-24-13-16-9-17(14-24)11-18(10-16)15-24)21-12-19-3-1-2-4-20(19)27(21)6-5-26-7-8-30-23(26)29/h1-4,12,16-18H,5-11,13-15H2,(H,25,28)
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n/an/an/an/a 220n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50257716
PNG
(CHEMBL4069058)
Show SMILES CC(C)(C)NC(=O)c1cc2ccccc2n1CCCCCO
Show InChI InChI=1S/C18H26N2O2/c1-18(2,3)19-17(22)16-13-14-9-5-6-10-15(14)20(16)11-7-4-8-12-21/h5-6,9-10,13,21H,4,7-8,11-12H2,1-3H3,(H,19,22)
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n/an/an/an/a 430n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50257740
PNG
(CHEMBL4066866)
Show SMILES CCCCCn1cc(C(=O)CC23CC4CC(CC(C4)C2)C3)c2ccccc12 |TLB:14:15:12.13.18:19,THB:14:13:19:20.15.16,16:15:12:18.17.19,16:17:12:20.14.15|
Show InChI InChI=1S/C25H33NO/c1-2-3-6-9-26-17-22(21-7-4-5-8-23(21)26)24(27)16-25-13-18-10-19(14-25)12-20(11-18)15-25/h4-5,7-8,17-20H,2-3,6,9-16H2,1H3
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n/an/an/an/a 35n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Agonist activity at rat CB1 receptor expressed in mouse AtT20 cells by FLIPR membrane potential assay

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50257708
PNG
(CHEMBL4064542)
Show SMILES FCCCCCn1c(cc2ccccc12)C(=O)NC12CC3CC(CC(C3)C1)C2 |THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24|
Show InChI InChI=1S/C24H31FN2O/c25-8-4-1-5-9-27-21-7-3-2-6-20(21)13-22(27)23(28)26-24-14-17-10-18(15-24)12-19(11-17)16-24/h2-3,6-7,13,17-19H,1,4-5,8-12,14-16H2,(H,26,28)
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n/an/an/an/a 140n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50257742
PNG
(CHEMBL2098107 | GW611920X | TCMDC-142478)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2ccccc2[nH]1 |TLB:10:5:12:9.8.11,10:9:12:6.5.4,THB:8:7:10.9.11:4,8:9:12.7.6:4|
Show InChI InChI=1S/C19H22N2O/c22-18(17-8-15-3-1-2-4-16(15)20-17)21-19-9-12-5-13(10-19)7-14(6-12)11-19/h1-4,8,12-14,20H,5-7,9-11H2,(H,21,22)
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n/an/an/an/a 980n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50257678
PNG
(CHEMBL4078111)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cn(CC2CCOCC2)c2ccccc12 |TLB:6:7:4.5.10:11,THB:6:5:11:12.7.8,8:7:4:10.9.11,8:9:4:12.6.7|
Show InChI InChI=1S/C25H32N2O2/c28-24(26-25-12-18-9-19(13-25)11-20(10-18)14-25)22-16-27(15-17-5-7-29-8-6-17)23-4-2-1-3-21(22)23/h1-4,16-20H,5-15H2,(H,26,28)
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n/an/an/an/a 38n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50257682
PNG
(CHEMBL4095228)
Show SMILES CCCCCn1c(cc2ccccc12)C(=O)NC12CC3CC(CC(C3)C1)C2 |THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
Show InChI InChI=1S/C24H32N2O/c1-2-3-6-9-26-21-8-5-4-7-20(21)13-22(26)23(27)25-24-14-17-10-18(15-24)12-19(11-17)16-24/h4-5,7-8,13,17-19H,2-3,6,9-12,14-16H2,1H3,(H,25,27)
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n/an/an/an/a 720n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%