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Compile Data Set for Download or QSAR

Found 84 hits Enz. Inhib. hit(s) with all data for entry = 50046011   
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


(MOUSE)
BDBM50090950
PNG
(CHEMBL3582008)
Show SMILES CCOC(=O)C(CC)(CC)NC(=O)c1ccc(N2CC(C2)OC)c(OCC2CC2)n1
Show InChI InChI=1S/C22H33N3O5/c1-5-22(6-2,21(27)29-7-3)24-19(26)17-10-11-18(25-12-16(13-25)28-4)20(23-17)30-14-15-8-9-15/h10-11,15-16H,5-9,12-14H2,1-4H3,(H,24,26)
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1.80n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50090950
PNG
(CHEMBL3582008)
Show SMILES CCOC(=O)C(CC)(CC)NC(=O)c1ccc(N2CC(C2)OC)c(OCC2CC2)n1
Show InChI InChI=1S/C22H33N3O5/c1-5-22(6-2,21(27)29-7-3)24-19(26)17-10-11-18(25-12-16(13-25)28-4)20(23-17)30-14-15-8-9-15/h10-11,15-16H,5-9,12-14H2,1-4H3,(H,24,26)
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2.5n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50090950
PNG
(CHEMBL3582008)
Show SMILES CCOC(=O)C(CC)(CC)NC(=O)c1ccc(N2CC(C2)OC)c(OCC2CC2)n1
Show InChI InChI=1S/C22H33N3O5/c1-5-22(6-2,21(27)29-7-3)24-19(26)17-10-11-18(25-12-16(13-25)28-4)20(23-17)30-14-15-8-9-15/h10-11,15-16H,5-9,12-14H2,1-4H3,(H,24,26)
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2.5n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50234418
PNG
((2,3-Dichloro-phenyl)-[5-methoxy-2-methyl-3-(2-mor...)
Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CCN3CCOCC3)c2c1
Show InChI InChI=1S/C23H24Cl2N2O3/c1-15-17(8-9-26-10-12-30-13-11-26)19-14-16(29-2)6-7-21(19)27(15)23(28)18-4-3-5-20(24)22(18)25/h3-7,14H,8-13H2,1-2H3
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3.90n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50090922
PNG
(CHEMBL3582012)
Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(C2)OC)c(OCC2CC2)n1)C(=O)N1CC(F)C1
Show InChI InChI=1S/C23H33FN4O4/c1-4-23(5-2,22(30)28-10-16(24)11-28)26-20(29)18-8-9-19(27-12-17(13-27)31-3)21(25-18)32-14-15-6-7-15/h8-9,15-17H,4-7,10-14H2,1-3H3,(H,26,29)
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6.90n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50090956
PNG
(CHEMBL3582027)
Show SMILES CCOCCOCC(C)(C)c1cc(NC(=O)c2ccc(C3CCCC3)c(OCC3CC3)n2)on1
Show InChI InChI=1S/C26H37N3O5/c1-4-31-13-14-32-17-26(2,3)22-15-23(34-29-22)28-24(30)21-12-11-20(19-7-5-6-8-19)25(27-21)33-16-18-9-10-18/h11-12,15,18-19H,4-10,13-14,16-17H2,1-3H3,(H,28,30)
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12n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50090955
PNG
(CHEMBL3582026)
Show SMILES COCCOCC(C)(C)c1cc(NC(=O)c2ccc(C3CCCC3)c(OCC3CC3)n2)on1
Show InChI InChI=1S/C25H35N3O5/c1-25(2,16-31-13-12-30-3)21-14-22(33-28-21)27-23(29)20-11-10-19(18-6-4-5-7-18)24(26-20)32-15-17-8-9-17/h10-11,14,17-18H,4-9,12-13,15-16H2,1-3H3,(H,27,29)
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13n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50090953
PNG
(CHEMBL3582024)
Show SMILES CCOC(=O)C(CC)(CC)NC(=O)c1ccc(C2CCCC2)c(OCC2CC2)n1
Show InChI InChI=1S/C23H34N2O4/c1-4-23(5-2,22(27)28-6-3)25-20(26)19-14-13-18(17-9-7-8-10-17)21(24-19)29-15-16-11-12-16/h13-14,16-17H,4-12,15H2,1-3H3,(H,25,26)
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16n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50090922
PNG
(CHEMBL3582012)
Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(C2)OC)c(OCC2CC2)n1)C(=O)N1CC(F)C1
Show InChI InChI=1S/C23H33FN4O4/c1-4-23(5-2,22(30)28-10-16(24)11-28)26-20(29)18-8-9-19(27-12-17(13-27)31-3)21(25-18)32-14-15-6-7-15/h8-9,15-17H,4-7,10-14H2,1-3H3,(H,26,29)
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18n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50090953
PNG
(CHEMBL3582024)
Show SMILES CCOC(=O)C(CC)(CC)NC(=O)c1ccc(C2CCCC2)c(OCC2CC2)n1
Show InChI InChI=1S/C23H34N2O4/c1-4-23(5-2,22(27)28-6-3)25-20(26)19-14-13-18(17-9-7-8-10-17)21(24-19)29-15-16-11-12-16/h13-14,16-17H,4-12,15H2,1-3H3,(H,25,26)
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39n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50090949
PNG
(CHEMBL3582009)
Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(C2)OC)c(OCC2CC2)n1)C(=O)NC
Show InChI InChI=1S/C21H32N4O4/c1-5-21(6-2,20(27)22-3)24-18(26)16-9-10-17(25-11-15(12-25)28-4)19(23-16)29-13-14-7-8-14/h9-10,14-15H,5-8,11-13H2,1-4H3,(H,22,27)(H,24,26)
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60n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50090954
PNG
(CHEMBL3582025)
Show SMILES CC(C)(OC(=O)c1ccc(C2CCCC2)c(OCC2CC2)n1)c1cc(N)on1
Show InChI InChI=1S/C21H27N3O4/c1-21(2,17-11-18(22)28-24-17)27-20(25)16-10-9-15(14-5-3-4-6-14)19(23-16)26-12-13-7-8-13/h9-11,13-14H,3-8,12,22H2,1-2H3
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70n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50090949
PNG
(CHEMBL3582009)
Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(C2)OC)c(OCC2CC2)n1)C(=O)NC
Show InChI InChI=1S/C21H32N4O4/c1-5-21(6-2,20(27)22-3)24-18(26)16-9-10-17(25-11-15(12-25)28-4)19(23-16)29-13-14-7-8-14/h9-10,14-15H,5-8,11-13H2,1-4H3,(H,22,27)(H,24,26)
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170n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50090963
PNG
(CHEMBL3582018 | US9290451, 86)
Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(=O)NC
Show InChI InChI=1S/C20H28F2N4O3/c1-4-19(5-2,18(28)23-3)25-16(27)14-8-9-15(26-11-20(21,22)12-26)17(24-14)29-10-13-6-7-13/h8-9,13H,4-7,10-12H2,1-3H3,(H,23,28)(H,25,27)
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179n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50090963
PNG
(CHEMBL3582018 | US9290451, 86)
Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(=O)NC
Show InChI InChI=1S/C20H28F2N4O3/c1-4-19(5-2,18(28)23-3)25-16(27)14-8-9-15(26-11-20(21,22)12-26)17(24-14)29-10-13-6-7-13/h8-9,13H,4-7,10-12H2,1-3H3,(H,23,28)(H,25,27)
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245n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50090956
PNG
(CHEMBL3582027)
Show SMILES CCOCCOCC(C)(C)c1cc(NC(=O)c2ccc(C3CCCC3)c(OCC3CC3)n2)on1
Show InChI InChI=1S/C26H37N3O5/c1-4-31-13-14-32-17-26(2,3)22-15-23(34-29-22)28-24(30)21-12-11-20(19-7-5-6-8-19)25(27-21)33-16-18-9-10-18/h11-12,15,18-19H,4-10,13-14,16-17H2,1-3H3,(H,28,30)
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264n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50090955
PNG
(CHEMBL3582026)
Show SMILES COCCOCC(C)(C)c1cc(NC(=O)c2ccc(C3CCCC3)c(OCC3CC3)n2)on1
Show InChI InChI=1S/C25H35N3O5/c1-25(2,16-31-13-12-30-3)21-14-22(33-28-21)27-23(29)20-11-10-19(18-6-4-5-7-18)24(26-20)32-15-17-8-9-17/h10-11,14,17-18H,4-9,12-13,15-16H2,1-3H3,(H,27,29)
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294n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50090954
PNG
(CHEMBL3582025)
Show SMILES CC(C)(OC(=O)c1ccc(C2CCCC2)c(OCC2CC2)n1)c1cc(N)on1
Show InChI InChI=1S/C21H27N3O4/c1-21(2,17-11-18(22)28-24-17)27-20(25)16-10-9-15(14-5-3-4-6-14)19(23-16)26-12-13-7-8-13/h9-11,13-14H,3-8,12,22H2,1-2H3
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352n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50090957
PNG
(CHEMBL3582028)
Show SMILES CC(C)(Cc1nnc(o1)-c1ccc(F)cc1)NC(=O)c1ccc(C2CCCC2)c(OCC2CC2)n1
Show InChI InChI=1S/C27H31FN4O3/c1-27(2,15-23-31-32-25(35-23)19-9-11-20(28)12-10-19)30-24(33)22-14-13-21(18-5-3-4-6-18)26(29-22)34-16-17-7-8-17/h9-14,17-18H,3-8,15-16H2,1-2H3,(H,30,33)
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403n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50090964
PNG
(CHEMBL3582019)
Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(=O)NCCF
Show InChI InChI=1S/C21H29F3N4O3/c1-3-20(4-2,19(30)25-10-9-22)27-17(29)15-7-8-16(28-12-21(23,24)13-28)18(26-15)31-11-14-5-6-14/h7-8,14H,3-6,9-13H2,1-2H3,(H,25,30)(H,27,29)
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403n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50090957
PNG
(CHEMBL3582028)
Show SMILES CC(C)(Cc1nnc(o1)-c1ccc(F)cc1)NC(=O)c1ccc(C2CCCC2)c(OCC2CC2)n1
Show InChI InChI=1S/C27H31FN4O3/c1-27(2,15-23-31-32-25(35-23)19-9-11-20(28)12-10-19)30-24(33)22-14-13-21(18-5-3-4-6-18)26(29-22)34-16-17-7-8-17/h9-14,17-18H,3-8,15-16H2,1-2H3,(H,30,33)
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416n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50090946
PNG
(CHEMBL3582010)
Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(C2)OC)c(OCC2CC2)n1)C(=O)NCCF
Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18?,19?,20-,22?,23+,24-/m1/s1
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421n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50090960
PNG
(CHEMBL3582015)
Show SMILES COC1CN(C1)c1ccc(nc1OCC1CC1)C(=O)NC(C)(C)Cc1nnc(o1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H30FN5O4/c1-26(2,12-22-30-31-24(36-22)17-6-8-18(27)9-7-17)29-23(33)20-10-11-21(32-13-19(14-32)34-3)25(28-20)35-15-16-4-5-16/h6-11,16,19H,4-5,12-15H2,1-3H3,(H,29,33)
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466n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50090960
PNG
(CHEMBL3582015)
Show SMILES COC1CN(C1)c1ccc(nc1OCC1CC1)C(=O)NC(C)(C)Cc1nnc(o1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H30FN5O4/c1-26(2,12-22-30-31-24(36-22)17-6-8-18(27)9-7-17)29-23(33)20-10-11-21(32-13-19(14-32)34-3)25(28-20)35-15-16-4-5-16/h6-11,16,19H,4-5,12-15H2,1-3H3,(H,29,33)
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504n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50090964
PNG
(CHEMBL3582019)
Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(=O)NCCF
Show InChI InChI=1S/C21H29F3N4O3/c1-3-20(4-2,19(30)25-10-9-22)27-17(29)15-7-8-16(28-12-21(23,24)13-28)18(26-15)31-11-14-5-6-14/h7-8,14H,3-6,9-13H2,1-2H3,(H,25,30)(H,27,29)
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774n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50090946
PNG
(CHEMBL3582010)
Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(C2)OC)c(OCC2CC2)n1)C(=O)NCCF
Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18?,19?,20-,22?,23+,24-/m1/s1
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902n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50090923
PNG
(CHEMBL3582013)
Show SMILES COC1CN(C1)c1ccc(nc1OCC1CC1)C(=O)NC1(CC(N)=O)COC1
Show InChI InChI=1S/C19H26N4O5/c1-26-13-7-23(8-13)15-5-4-14(21-18(15)28-9-12-2-3-12)17(25)22-19(6-16(20)24)10-27-11-19/h4-5,12-13H,2-3,6-11H2,1H3,(H2,20,24)(H,22,25)
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1.02E+3n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50090959
PNG
(CHEMBL3582021)
Show SMILES CC(C)(Cc1nnc(o1)-c1ccc(F)cc1)NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C25H26F3N5O3/c1-24(2,11-20-31-32-22(36-20)16-5-7-17(26)8-6-16)30-21(34)18-9-10-19(33-13-25(27,28)14-33)23(29-18)35-12-15-3-4-15/h5-10,15H,3-4,11-14H2,1-2H3,(H,30,34)
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1.05E+3n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50090958
PNG
(CHEMBL3582011)
Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(C2)OC)c(OCC2CC2)n1)C(=O)NCCCF
Show InChI InChI=1S/C23H35FN4O4/c1-4-23(5-2,22(30)25-12-6-11-24)27-20(29)18-9-10-19(28-13-17(14-28)31-3)21(26-18)32-15-16-7-8-16/h9-10,16-17H,4-8,11-15H2,1-3H3,(H,25,30)(H,27,29)
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2.07E+3n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50090961
PNG
(CHEMBL3582016)
Show SMILES COC1CN(C1)c1ccc(nc1OCC1CC1)C(=O)NCC1(O)CCCCC1
Show InChI InChI=1S/C21H31N3O4/c1-27-16-11-24(12-16)18-8-7-17(23-20(18)28-13-15-5-6-15)19(25)22-14-21(26)9-3-2-4-10-21/h7-8,15-16,26H,2-6,9-14H2,1H3,(H,22,25)
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2.23E+3n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50090938
PNG
(CHEMBL3582014)
Show SMILES COC1CN(C1)c1ccc(nc1OCC1CC1)C(=O)OC(C)(C)c1cc(N)on1
Show InChI InChI=1S/C20H26N4O5/c1-20(2,16-8-17(21)29-23-16)28-19(25)14-6-7-15(24-9-13(10-24)26-3)18(22-14)27-11-12-4-5-12/h6-8,12-13H,4-5,9-11,21H2,1-3H3
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2.28E+3n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50090961
PNG
(CHEMBL3582016)
Show SMILES COC1CN(C1)c1ccc(nc1OCC1CC1)C(=O)NCC1(O)CCCCC1
Show InChI InChI=1S/C21H31N3O4/c1-27-16-11-24(12-16)18-8-7-17(23-20(18)28-13-15-5-6-15)19(25)22-14-21(26)9-3-2-4-10-21/h7-8,15-16,26H,2-6,9-14H2,1H3,(H,22,25)
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2.87E+3n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50090959
PNG
(CHEMBL3582021)
Show SMILES CC(C)(Cc1nnc(o1)-c1ccc(F)cc1)NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C25H26F3N5O3/c1-24(2,11-20-31-32-22(36-20)16-5-7-17(26)8-6-16)30-21(34)18-9-10-19(33-13-25(27,28)14-33)23(29-18)35-12-15-3-4-15/h5-10,15H,3-4,11-14H2,1-2H3,(H,30,34)
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3.03E+3n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50090923
PNG
(CHEMBL3582013)
Show SMILES COC1CN(C1)c1ccc(nc1OCC1CC1)C(=O)NC1(CC(N)=O)COC1
Show InChI InChI=1S/C19H26N4O5/c1-26-13-7-23(8-13)15-5-4-14(21-18(15)28-9-12-2-3-12)17(25)22-19(6-16(20)24)10-27-11-19/h4-5,12-13H,2-3,6-11H2,1H3,(H2,20,24)(H,22,25)
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3.11E+3n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50090951
PNG
(CHEMBL3582022)
Show SMILES CC(C)(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C24H25F2N5O3/c1-23(2,22-30-29-20(34-22)16-6-4-3-5-7-16)28-19(32)17-10-11-18(31-13-24(25,26)14-31)21(27-17)33-12-15-8-9-15/h3-7,10-11,15H,8-9,12-14H2,1-2H3,(H,28,32)
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3.96E+3n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50090958
PNG
(CHEMBL3582011)
Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(C2)OC)c(OCC2CC2)n1)C(=O)NCCCF
Show InChI InChI=1S/C23H35FN4O4/c1-4-23(5-2,22(30)25-12-6-11-24)27-20(29)18-9-10-19(28-13-17(14-28)31-3)21(26-18)32-15-16-7-8-16/h9-10,16-17H,4-8,11-15H2,1-3H3,(H,25,30)(H,27,29)
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5.26E+3n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50090965
PNG
(CHEMBL3582020)
Show SMILES CC(C)(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)c1nnc(o1)-c1cccnc1
Show InChI InChI=1S/C23H24F2N6O3/c1-22(2,21-30-29-19(34-21)15-4-3-9-26-10-15)28-18(32)16-7-8-17(31-12-23(24,25)13-31)20(27-16)33-11-14-5-6-14/h3-4,7-10,14H,5-6,11-13H2,1-2H3,(H,28,32)
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50090965
PNG
(CHEMBL3582020)
Show SMILES CC(C)(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)c1nnc(o1)-c1cccnc1
Show InChI InChI=1S/C23H24F2N6O3/c1-22(2,21-30-29-19(34-21)15-4-3-9-26-10-15)28-18(32)16-7-8-17(31-12-23(24,25)13-31)20(27-16)33-11-14-5-6-14/h3-4,7-10,14H,5-6,11-13H2,1-2H3,(H,28,32)
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50090952
PNG
(CHEMBL3582023)
Show SMILES CC(C)(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)c1nnc(o1)C1CC1
Show InChI InChI=1S/C21H25F2N5O3/c1-20(2,19-27-26-17(31-19)13-5-6-13)25-16(29)14-7-8-15(28-10-21(22,23)11-28)18(24-14)30-9-12-3-4-12/h7-8,12-13H,3-6,9-11H2,1-2H3,(H,25,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50090951
PNG
(CHEMBL3582022)
Show SMILES CC(C)(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C24H25F2N5O3/c1-23(2,22-30-29-20(34-22)16-6-4-3-5-7-16)28-19(32)17-10-11-18(31-13-24(25,26)14-31)21(27-17)33-12-15-8-9-15/h3-7,10-11,15H,8-9,12-14H2,1-2H3,(H,28,32)
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50090938
PNG
(CHEMBL3582014)
Show SMILES COC1CN(C1)c1ccc(nc1OCC1CC1)C(=O)OC(C)(C)c1cc(N)on1
Show InChI InChI=1S/C20H26N4O5/c1-20(2,16-8-17(21)29-23-16)28-19(25)14-6-7-15(24-9-13(10-24)26-3)18(22-14)27-11-12-4-5-12/h6-8,12-13H,4-5,9-11,21H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50090952
PNG
(CHEMBL3582023)
Show SMILES CC(C)(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)c1nnc(o1)C1CC1
Show InChI InChI=1S/C21H25F2N5O3/c1-20(2,19-27-26-17(31-19)13-5-6-13)25-16(29)14-7-8-15(28-10-21(22,23)11-28)18(24-14)30-9-12-3-4-12/h7-8,12-13H,3-6,9-11H2,1-2H3,(H,25,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50090950
PNG
(CHEMBL3582008)
Show SMILES CCOC(=O)C(CC)(CC)NC(=O)c1ccc(N2CC(C2)OC)c(OCC2CC2)n1
Show InChI InChI=1S/C22H33N3O5/c1-5-22(6-2,21(27)29-7-3)24-19(26)17-10-11-18(25-12-16(13-25)28-4)20(23-17)30-14-15-8-9-15/h10-11,15-16H,5-9,12-14H2,1-4H3,(H,24,26)
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n/an/an/an/a 4.40n/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Activity at human CB2 receptor expressed in CHO cells assessed as cAMP accumulation incubated for 30 mins by time-resolved FRET assay


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50090957
PNG
(CHEMBL3582028)
Show SMILES CC(C)(Cc1nnc(o1)-c1ccc(F)cc1)NC(=O)c1ccc(C2CCCC2)c(OCC2CC2)n1
Show InChI InChI=1S/C27H31FN4O3/c1-27(2,15-23-31-32-25(35-23)19-9-11-20(28)12-10-19)30-24(33)22-14-13-21(18-5-3-4-6-18)26(29-22)34-16-17-7-8-17/h9-14,17-18H,3-8,15-16H2,1-2H3,(H,30,33)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Activity at human CB1 receptor expressed in CHO cells assessed as cAMP accumulation incubated for 30 mins by time-resolved FRET assay


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50090946
PNG
(CHEMBL3582010)
Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(C2)OC)c(OCC2CC2)n1)C(=O)NCCF
Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18?,19?,20-,22?,23+,24-/m1/s1
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n/an/an/an/a 281n/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Activity at human CB2 receptor expressed in CHO cells assessed as cAMP accumulation incubated for 30 mins by time-resolved FRET assay


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50090958
PNG
(CHEMBL3582011)
Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(C2)OC)c(OCC2CC2)n1)C(=O)NCCCF
Show InChI InChI=1S/C23H35FN4O4/c1-4-23(5-2,22(30)25-12-6-11-24)27-20(29)18-9-10-19(28-13-17(14-28)31-3)21(26-18)32-15-16-7-8-16/h9-10,16-17H,4-8,11-15H2,1-3H3,(H,25,30)(H,27,29)
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n/an/an/an/a 444n/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Activity at human CB2 receptor expressed in CHO cells assessed as cAMP accumulation incubated for 30 mins by time-resolved FRET assay


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50090922
PNG
(CHEMBL3582012)
Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(C2)OC)c(OCC2CC2)n1)C(=O)N1CC(F)C1
Show InChI InChI=1S/C23H33FN4O4/c1-4-23(5-2,22(30)28-10-16(24)11-28)26-20(29)18-8-9-19(27-12-17(13-27)31-3)21(25-18)32-14-15-6-7-15/h8-9,15-17H,4-7,10-14H2,1-3H3,(H,26,29)
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n/an/an/an/a 4.40n/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Activity at human CB2 receptor expressed in CHO cells assessed as cAMP accumulation incubated for 30 mins by time-resolved FRET assay


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50090923
PNG
(CHEMBL3582013)
Show SMILES COC1CN(C1)c1ccc(nc1OCC1CC1)C(=O)NC1(CC(N)=O)COC1
Show InChI InChI=1S/C19H26N4O5/c1-26-13-7-23(8-13)15-5-4-14(21-18(15)28-9-12-2-3-12)17(25)22-19(6-16(20)24)10-27-11-19/h4-5,12-13H,2-3,6-11H2,1H3,(H2,20,24)(H,22,25)
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n/an/an/an/a 67n/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Activity at human CB2 receptor expressed in CHO cells assessed as cAMP accumulation incubated for 30 mins by time-resolved FRET assay


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50090938
PNG
(CHEMBL3582014)
Show SMILES COC1CN(C1)c1ccc(nc1OCC1CC1)C(=O)OC(C)(C)c1cc(N)on1
Show InChI InChI=1S/C20H26N4O5/c1-20(2,16-8-17(21)29-23-16)28-19(25)14-6-7-15(24-9-13(10-24)26-3)18(22-14)27-11-12-4-5-12/h6-8,12-13H,4-5,9-11,21H2,1-3H3
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n/an/an/an/a 155n/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Activity at human CB2 receptor expressed in CHO cells assessed as cAMP accumulation incubated for 30 mins by time-resolved FRET assay


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50090960
PNG
(CHEMBL3582015)
Show SMILES COC1CN(C1)c1ccc(nc1OCC1CC1)C(=O)NC(C)(C)Cc1nnc(o1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H30FN5O4/c1-26(2,12-22-30-31-24(36-22)17-6-8-18(27)9-7-17)29-23(33)20-10-11-21(32-13-19(14-32)34-3)25(28-20)35-15-16-4-5-16/h6-11,16,19H,4-5,12-15H2,1-3H3,(H,29,33)
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n/an/an/an/a 1.81E+3n/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Activity at human CB2 receptor expressed in CHO cells assessed as cAMP accumulation incubated for 30 mins by time-resolved FRET assay


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
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