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Compile Data Set for Download or QSAR

Found 154 hits Enz. Inhib. hit(s) with all data for entry = 50046126   
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))
BDBM50095892
PNG
(CHEMBL3590290)
Show SMILES CCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2ccc(C)cc12
Show InChI InChI=1S/C22H30N2O2/c1-3-4-8-13-24-20-14-16(2)11-12-18(20)21(25)19(22(24)26)15-23-17-9-6-5-7-10-17/h11-12,14-15,17,23H,3-10,13H2,1-2H3/b19-15+
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n/an/a 9n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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n/an/a 14n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB1R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50095902
PNG
(CHEMBL3590298)
Show SMILES CCCCCN1C(=O)\C(=C\NC23CC4CC(CC(C4)C2)C3)C(=O)c2cc(OC)cc(C)c12 |TLB:18:13:20:17.19.16,18:17:20:12.13.14,THB:16:15:12:18.17.19,16:17:12:20.14.15|
Show InChI InChI=1S/C18H24N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/t12-,13+,14+,18?/m1/s1
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n/an/a 45n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50095900
PNG
(CHEMBL3590296)
Show SMILES CCCCCN1C(=O)\C(=C\NC23CC4CC(CC(C4)C2)C3)C(=O)c2cc(OC)ccc12 |TLB:18:13:20:17.19.16,18:17:20:12.13.14,THB:16:15:12:18.17.19,16:17:12:20.14.15|
Show InChI InChI=1S/C18H20N8O4/c1-2-21-17(29)14-12(27)13(28)18(30-14)26-9-22-11-15(19)23-10(24-16(11)26)4-3-6-25-7-5-20-8-25/h5,7-9,12-14,18,27-28H,2,6H2,1H3,(H,21,29)(H2,19,23,24)/t12-,13+,14+,18?/m1/s1
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n/an/a 82n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50095897
PNG
(CHEMBL3590293)
Show SMILES CCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2cc(OC)cc(C)c12
Show InChI InChI=1S/C19H23N5O6/c1-28-11-4-2-10(3-5-11)6-7-29-19-22-16(20)13-17(23-19)24(9-21-13)18-15(27)14(26)12(8-25)30-18/h2-5,9,12,14-15,18,25-27H,6-8H2,1H3,(H2,20,22,23)/t12-,14+,15+,18?/m1/s1
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n/an/a 93n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50095895
PNG
(CHEMBL3590291)
Show SMILES CCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2ccc(OC)cc12
Show InChI InChI=1S/C17H19N5O5/c18-14-11-15(21-17(20-14)26-7-9-4-2-1-3-5-9)22(8-19-11)16-13(25)12(24)10(6-23)27-16/h1-5,8,10,12-13,16,23-25H,6-7H2,(H2,18,20,21)/t10-,12+,13+,16?/m1/s1
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n/an/a 194n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50095903
PNG
(CHEMBL2096743)
Show SMILES CCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(N)cc3)c(=O)[nH]c12
Show InChI InChI=1S/C16H25N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-7H2,1H3,(H2,17,19,20)/t9-,12+,13+,16?/m1/s1
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n/an/a 545n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50095901
PNG
(CHEMBL3590297)
Show SMILES CCCCCN1C(=O)\C(=C\NC23CC4CC(CC(C4)C2)C3)C(=O)c2cc(Cl)ccc12 |TLB:18:13:20:17.19.16,18:17:20:12.13.14,THB:16:15:12:18.17.19,16:17:12:20.14.15|
Show InChI InChI=1S/C18H20ClN5O5/c19-10-4-2-1-3-9(10)5-6-28-18-22-15(20)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h1-4,8,11,13-14,17,25-27H,5-7H2,(H2,20,22,23)/t11-,13+,14+,17?/m1/s1
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n/an/a 957n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50095898
PNG
(CHEMBL3590294)
Show SMILES CCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2cc(Cl)cc(C)c12
Show InChI InChI=1S/C13H19N5O5/c1-2-3-22-13-16-10(14)7-11(17-13)18(5-15-7)12-9(21)8(20)6(4-19)23-12/h5-6,8-9,12,19-21H,2-4H2,1H3,(H2,14,16,17)/t6-,8+,9+,12?/m1/s1
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n/an/a 1.48E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50095886
PNG
(CHEMBL3590646)
Show SMILES CCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C21H27ClN2O2/c1-2-3-7-12-24-19-11-10-15(22)13-17(19)20(25)18(21(24)26)14-23-16-8-5-4-6-9-16/h10-11,13-14,16,23H,2-9,12H2,1H3/b18-14+
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n/an/a 1.51E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50095881
PNG
(CHEMBL3590641)
Show SMILES CCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2cc(OC)ccc12
Show InChI InChI=1S/C22H30N2O3/c1-3-4-8-13-24-20-12-11-17(27-2)14-18(20)21(25)19(22(24)26)15-23-16-9-6-5-7-10-16/h11-12,14-16,23H,3-10,13H2,1-2H3/b19-15+
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n/an/a 1.65E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50095887
PNG
(CHEMBL3590647)
Show SMILES CCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2cc(Br)ccc12
Show InChI InChI=1S/C21H27BrN2O2/c1-2-3-7-12-24-19-11-10-15(22)13-17(19)20(25)18(21(24)26)14-23-16-8-5-4-6-9-16/h10-11,13-14,16,23H,2-9,12H2,1H3/b18-14+
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n/an/a 1.68E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50095880
PNG
(CHEMBL3590640)
Show SMILES CCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2cc(OC)ccc12
Show InChI InChI=1S/C21H28N2O3/c1-3-4-12-23-19-11-10-16(26-2)13-17(19)20(24)18(21(23)25)14-22-15-8-6-5-7-9-15/h10-11,13-15,22H,3-9,12H2,1-2H3/b18-14+
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n/an/a 4.19E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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n/an/a 9.10E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50095899
PNG
(CHEMBL3590295)
Show SMILES CCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2cc(OC)cc(OC)c12
Show InChI InChI=1S/C14H21N5O4/c1-2-3-4-8-17-12(15)9-13(18-8)19(6-16-9)14-11(22)10(21)7(5-20)23-14/h6-7,10-11,14,20-22H,2-5H2,1H3,(H2,15,17,18)/t7-,10+,11+,14?/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB1R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50095900
PNG
(CHEMBL3590296)
Show SMILES CCCCCN1C(=O)\C(=C\NC23CC4CC(CC(C4)C2)C3)C(=O)c2cc(OC)ccc12 |TLB:18:13:20:17.19.16,18:17:20:12.13.14,THB:16:15:12:18.17.19,16:17:12:20.14.15|
Show InChI InChI=1S/C18H20N8O4/c1-2-21-17(29)14-12(27)13(28)18(30-14)26-9-22-11-15(19)23-10(24-16(11)26)4-3-6-25-7-5-20-8-25/h5,7-9,12-14,18,27-28H,2,6H2,1H3,(H,21,29)(H2,19,23,24)/t12-,13+,14+,18?/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB1R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50095901
PNG
(CHEMBL3590297)
Show SMILES CCCCCN1C(=O)\C(=C\NC23CC4CC(CC(C4)C2)C3)C(=O)c2cc(Cl)ccc12 |TLB:18:13:20:17.19.16,18:17:20:12.13.14,THB:16:15:12:18.17.19,16:17:12:20.14.15|
Show InChI InChI=1S/C18H20ClN5O5/c19-10-4-2-1-3-9(10)5-6-28-18-22-15(20)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h1-4,8,11,13-14,17,25-27H,5-7H2,(H2,20,22,23)/t11-,13+,14+,17?/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB1R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50095902
PNG
(CHEMBL3590298)
Show SMILES CCCCCN1C(=O)\C(=C\NC23CC4CC(CC(C4)C2)C3)C(=O)c2cc(OC)cc(C)c12 |TLB:18:13:20:17.19.16,18:17:20:12.13.14,THB:16:15:12:18.17.19,16:17:12:20.14.15|
Show InChI InChI=1S/C18H24N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/t12-,13+,14+,18?/m1/s1
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Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB1R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50095903
PNG
(CHEMBL2096743)
Show SMILES CCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(N)cc3)c(=O)[nH]c12
Show InChI InChI=1S/C16H25N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-7H2,1H3,(H2,17,19,20)/t9-,12+,13+,16?/m1/s1
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Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB1R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50095885
PNG
(CHEMBL3590645)
Show SMILES CCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2cc(OC(F)(F)F)ccc12
Show InChI InChI=1S/C22H27F3N2O3/c1-2-3-7-12-27-19-11-10-16(30-22(23,24)25)13-17(19)20(28)18(21(27)29)14-26-15-8-5-4-6-9-15/h10-11,13-15,26H,2-9,12H2,1H3/b18-14+
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Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB1R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50095882
PNG
(CHEMBL3590642)
Show SMILES CCCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2cc(OC)ccc12
Show InChI InChI=1S/C23H32N2O3/c1-3-4-5-9-14-25-21-13-12-18(28-2)15-19(21)22(26)20(23(25)27)16-24-17-10-7-6-8-11-17/h12-13,15-17,24H,3-11,14H2,1-2H3/b20-16+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50095883
PNG
(CHEMBL3590643)
Show SMILES CCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2cc(C)ccc12
Show InChI InChI=1S/C22H30N2O2/c1-3-4-8-13-24-20-12-11-16(2)14-18(20)21(25)19(22(24)26)15-23-17-9-6-5-7-10-17/h11-12,14-15,17,23H,3-10,13H2,1-2H3/b19-15+
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Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50095884
PNG
(CHEMBL3590644)
Show SMILES CCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2cc(ccc12)C(C)(C)C
Show InChI InChI=1S/C25H36N2O2/c1-5-6-10-15-27-22-14-13-18(25(2,3)4)16-20(22)23(28)21(24(27)29)17-26-19-11-8-7-9-12-19/h13-14,16-17,19,26H,5-12,15H2,1-4H3/b21-17+
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Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50095885
PNG
(CHEMBL3590645)
Show SMILES CCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2cc(OC(F)(F)F)ccc12
Show InChI InChI=1S/C22H27F3N2O3/c1-2-3-7-12-27-19-11-10-16(30-22(23,24)25)13-17(19)20(28)18(21(27)29)14-26-15-8-5-4-6-9-15/h10-11,13-15,26H,2-9,12H2,1H3/b18-14+
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Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50095888
PNG
(CHEMBL3590648)
Show SMILES CCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2cc(ccc12)C(F)(F)F
Show InChI InChI=1S/C22H27F3N2O2/c1-2-3-7-12-27-19-11-10-15(22(23,24)25)13-17(19)20(28)18(21(27)29)14-26-16-8-5-4-6-9-16/h10-11,13-14,16,26H,2-9,12H2,1H3/b18-14+
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Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50095884
PNG
(CHEMBL3590644)
Show SMILES CCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2cc(ccc12)C(C)(C)C
Show InChI InChI=1S/C25H36N2O2/c1-5-6-10-15-27-22-14-13-18(25(2,3)4)16-20(22)23(28)21(24(27)29)17-26-19-11-8-7-9-12-19/h13-14,16-17,19,26H,5-12,15H2,1-4H3/b21-17+
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Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB1R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50095883
PNG
(CHEMBL3590643)
Show SMILES CCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2cc(C)ccc12
Show InChI InChI=1S/C22H30N2O2/c1-3-4-8-13-24-20-12-11-16(2)14-18(20)21(25)19(22(24)26)15-23-17-9-6-5-7-10-17/h11-12,14-15,17,23H,3-10,13H2,1-2H3/b19-15+
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Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB1R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50095896
PNG
(CHEMBL3590292)
Show SMILES CCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2ccc(Cl)cc12
Show InChI InChI=1S/C20H28N6O6/c1-2-22-18(29)15-13(27)14(28)19(32-15)26-8-23-12-16(21)24-11(25-17(12)26)7-9-3-5-10(6-4-9)20(30)31/h8-10,13-15,19,27-28H,2-7H2,1H3,(H,22,29)(H,30,31)(H2,21,24,25)/t9?,10?,13-,14+,15+,19?/m1/s1
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Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50095882
PNG
(CHEMBL3590642)
Show SMILES CCCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2cc(OC)ccc12
Show InChI InChI=1S/C23H32N2O3/c1-3-4-5-9-14-25-21-13-12-18(28-2)15-19(21)22(26)20(23(25)27)16-24-17-10-7-6-8-11-17/h12-13,15-17,24H,3-11,14H2,1-2H3/b20-16+
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Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB1R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50095899
PNG
(CHEMBL3590295)
Show SMILES CCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2cc(OC)cc(OC)c12
Show InChI InChI=1S/C14H21N5O4/c1-2-3-4-8-17-12(15)9-13(18-8)19(6-16-9)14-11(22)10(21)7(5-20)23-14/h6-7,10-11,14,20-22H,2-5H2,1H3,(H2,15,17,18)/t7-,10+,11+,14?/m1/s1
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Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50095881
PNG
(CHEMBL3590641)
Show SMILES CCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2cc(OC)ccc12
Show InChI InChI=1S/C22H30N2O3/c1-3-4-8-13-24-20-12-11-17(27-2)14-18(20)21(25)19(22(24)26)15-23-16-9-6-5-7-10-16/h11-12,14-16,23H,3-10,13H2,1-2H3/b19-15+
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Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB1R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50095880
PNG
(CHEMBL3590640)
Show SMILES CCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2cc(OC)ccc12
Show InChI InChI=1S/C21H28N2O3/c1-3-4-12-23-19-11-10-16(26-2)13-17(19)20(24)18(21(23)25)14-22-15-8-6-5-7-9-15/h10-11,13-15,22H,3-9,12H2,1-2H3/b18-14+
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Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB1R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50095898
PNG
(CHEMBL3590294)
Show SMILES CCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2cc(Cl)cc(C)c12
Show InChI InChI=1S/C13H19N5O5/c1-2-3-22-13-16-10(14)7-11(17-13)18(5-15-7)12-9(21)8(20)6(4-19)23-12/h5-6,8-9,12,19-21H,2-4H2,1H3,(H2,14,16,17)/t6-,8+,9+,12?/m1/s1
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Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB1R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50095897
PNG
(CHEMBL3590293)
Show SMILES CCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2cc(OC)cc(C)c12
Show InChI InChI=1S/C19H23N5O6/c1-28-11-4-2-10(3-5-11)6-7-29-19-22-16(20)13-17(23-19)24(9-21-13)18-15(27)14(26)12(8-25)30-18/h2-5,9,12,14-15,18,25-27H,6-8H2,1H3,(H2,20,22,23)/t12-,14+,15+,18?/m1/s1
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Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB1R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50095896
PNG
(CHEMBL3590292)
Show SMILES CCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2ccc(Cl)cc12
Show InChI InChI=1S/C20H28N6O6/c1-2-22-18(29)15-13(27)14(28)19(32-15)26-8-23-12-16(21)24-11(25-17(12)26)7-9-3-5-10(6-4-9)20(30)31/h8-10,13-15,19,27-28H,2-7H2,1H3,(H,22,29)(H,30,31)(H2,21,24,25)/t9?,10?,13-,14+,15+,19?/m1/s1
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Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB1R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50095895
PNG
(CHEMBL3590291)
Show SMILES CCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2ccc(OC)cc12
Show InChI InChI=1S/C17H19N5O5/c18-14-11-15(21-17(20-14)26-7-9-4-2-1-3-5-9)22(8-19-11)16-13(25)12(24)10(6-23)27-16/h1-5,8,10,12-13,16,23-25H,6-7H2,(H2,18,20,21)/t10-,12+,13+,16?/m1/s1
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Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB1R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50095892
PNG
(CHEMBL3590290)
Show SMILES CCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2ccc(C)cc12
Show InChI InChI=1S/C22H30N2O2/c1-3-4-8-13-24-20-14-16(2)11-12-18(20)21(25)19(22(24)26)15-23-17-9-6-5-7-10-17/h11-12,14-15,17,23H,3-10,13H2,1-2H3/b19-15+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB1R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50095886
PNG
(CHEMBL3590646)
Show SMILES CCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C21H27ClN2O2/c1-2-3-7-12-24-19-11-10-15(22)13-17(19)20(25)18(21(24)26)14-23-16-8-5-4-6-9-16/h10-11,13-14,16,23H,2-9,12H2,1H3/b18-14+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB1R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50095887
PNG
(CHEMBL3590647)
Show SMILES CCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2cc(Br)ccc12
Show InChI InChI=1S/C21H27BrN2O2/c1-2-3-7-12-24-19-11-10-15(22)13-17(19)20(25)18(21(24)26)14-23-16-8-5-4-6-9-16/h10-11,13-14,16,23H,2-9,12H2,1H3/b18-14+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB1R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50095888
PNG
(CHEMBL3590648)
Show SMILES CCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2cc(ccc12)C(F)(F)F
Show InChI InChI=1S/C22H27F3N2O2/c1-2-3-7-12-27-19-11-10-15(22(23,24)25)13-17(19)20(28)18(21(27)29)14-26-16-8-5-4-6-9-16/h10-11,13-14,16,26H,2-9,12H2,1H3/b18-14+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB1R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50095853
PNG
(CHEMBL3590621)
Show SMILES CCCCN1C(=O)\C(=C\NC2CCCC2)C(=O)c2cccc(C)c12
Show InChI InChI=1S/C20H26N2O2/c1-3-4-12-22-18-14(2)8-7-11-16(18)19(23)17(20(22)24)13-21-15-9-5-6-10-15/h7-8,11,13,15,21H,3-6,9-10,12H2,1-2H3/b17-13+
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n/an/an/an/a 58n/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Agonist activity at CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as increase in intracellular calcium level by microplate read...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50095854
PNG
(CHEMBL3590620)
Show SMILES CCCCN1C(=O)\C(=C\Nc2ccccn2)C(=O)c2cccc(C)c12
Show InChI InChI=1S/C17H26N6O4/c1-2-3-4-5-6-7-19-16(26)13-11(24)12(25)17(27-13)23-9-22-10-14(18)20-8-21-15(10)23/h8-9,11-13,17,24-25H,2-7H2,1H3,(H,19,26)(H2,18,20,21)/t11?,12?,13-,17+/m0/s1
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n/an/an/an/a 2.39E+3n/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Agonist activity at CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as increase in intracellular calcium level by microplate read...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50095855
PNG
(CHEMBL3590619)
Show SMILES CCCCN1C(=O)\C(=C\Nc2ccc(F)cc2)C(=O)c2cccc(C)c12
Show InChI InChI=1S/C14H19N7O5/c1-6(22)16-2-3-17-13(25)10-8(23)9(24)14(26-10)21-5-20-7-11(15)18-4-19-12(7)21/h4-5,8-10,14,23-24H,2-3H2,1H3,(H,16,22)(H,17,25)(H2,15,18,19)/t8?,9?,10-,14+/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Agonist activity at CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as increase in intracellular calcium level by microplate read...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50095856
PNG
(CHEMBL3590618)
Show SMILES CCCCN1C(=O)\C(=C\NCc2cccnc2)C(=O)c2cccc(C)c12
Show InChI InChI=1S/C21H34N6O4/c1-2-3-4-5-6-7-8-9-10-11-23-20(30)17-15(28)16(29)21(31-17)27-13-26-14-18(22)24-12-25-19(14)27/h12-13,15-17,21,28-29H,2-11H2,1H3,(H,23,30)(H2,22,24,25)/t15?,16?,17-,21+/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Agonist activity at CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as increase in intracellular calcium level by microplate read...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50095857
PNG
(CHEMBL3590617)
Show SMILES CCCCN1C(=O)\C(=C\NCc2ccc(F)cc2)C(=O)c2cccc(C)c12
Show InChI InChI=1S/C18H26N6O4/c19-15-11-16(21-8-20-15)24(9-22-11)18-13(26)12(25)14(28-18)17(27)23-10-6-4-2-1-3-5-7-10/h8-10,12-14,18,25-26H,1-7H2,(H,23,27)(H2,19,20,21)/t12?,13?,14-,18+/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Agonist activity at CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as increase in intracellular calcium level by microplate read...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50095858
PNG
(CHEMBL3590616)
Show SMILES CCCCN1C(=O)\C(=C\NC23CC4CC(CC(C4)C2)C3)C(=O)c2cccc(C)c12 |TLB:17:12:19:16.18.15,17:16:19:11.12.13,THB:15:14:11:17.16.18,15:16:11:19.13.14|
Show InChI InChI=1S/C25H32N2O2/c1-3-4-8-27-22-16(2)6-5-7-20(22)23(28)21(24(27)29)15-26-25-12-17-9-18(13-25)11-19(10-17)14-25/h5-7,15,17-19,26H,3-4,8-14H2,1-2H3/b21-15+
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n/an/an/an/a 317n/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Agonist activity at CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as increase in intracellular calcium level by microplate read...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r|
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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n/an/an/an/a 31n/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Agonist activity at CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as increase in intracellular calcium level by microplate read...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50211843
PNG
(2-(2,4-dichlorophenylamino)-4-trifluoromethyl-pyri...)
Show SMILES FC(F)(F)c1nc(Nc2ccc(Cl)cc2Cl)ncc1C(=O)NCC1CCOCC1
Show InChI InChI=1S/C18H17Cl2F3N4O2/c19-11-1-2-14(13(20)7-11)26-17-25-9-12(15(27-17)18(21,22)23)16(28)24-8-10-3-5-29-6-4-10/h1-2,7,9-10H,3-6,8H2,(H,24,28)(H,25,26,27)
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n/an/an/an/a 437n/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Agonist activity at CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as increase in intracellular calcium level by microplate read...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50095859
PNG
(CHEMBL3590615)
Show SMILES CCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2cccc(Cl)c12
Show InChI InChI=1S/C13H16N6O4/c14-10-6-11(16-3-15-10)19(4-17-6)13-8(21)7(20)9(23-13)12(22)18-5-1-2-5/h3-5,7-9,13,20-21H,1-2H2,(H,18,22)(H2,14,15,16)/t7?,8?,9-,13+/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Agonist activity at CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as increase in intracellular calcium level by microplate read...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50095860
PNG
(CHEMBL3590614)
Show SMILES CCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2cccc(OC)c12
Show InChI InChI=1S/C17H24N6O4/c1-8-4-2-3-5-9(8)22-16(26)13-11(24)12(25)17(27-13)23-7-21-10-14(18)19-6-20-15(10)23/h6-9,11-13,17,24-25H,2-5H2,1H3,(H,22,26)(H2,18,19,20)/t8?,9?,11?,12?,13-,17+/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Agonist activity at CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as increase in intracellular calcium level by microplate read...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
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