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Compile Data Set for Download or QSAR

Found 513 hits with Last Name = 'digiacomo' and Initial = 'm'   
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))
BDBM50556542
PNG
(CHEMBL4780771)
Show SMILES Cc1nc(OCc2ccc(F)cc2)c(cc1Br)C(=O)NC1CCCCCC1
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1.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50556532
PNG
(CHEMBL4753891)
Show SMILES Cc1c(Br)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1
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1.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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1.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50408224
PNG
(CHEMBL4164954)
Show SMILES Cc1c(Br)cn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C21H24BrFN2O2/c1-14-18(22)13-25(12-15-8-10-16(23)11-9-15)21(27)19(14)20(26)24-17-6-4-2-3-5-7-17/h8-11,13,17H,2-7,12H2,1H3,(H,24,26)
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2.30n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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2.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB1R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50556532
PNG
(CHEMBL4753891)
Show SMILES Cc1c(Br)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1
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2.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB1R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50408224
PNG
(CHEMBL4164954)
Show SMILES Cc1c(Br)cn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C21H24BrFN2O2/c1-14-18(22)13-25(12-15-8-10-16(23)11-9-15)21(27)19(14)20(26)24-17-6-4-2-3-5-7-17/h8-11,13,17H,2-7,12H2,1H3,(H,24,26)
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3.5n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50556533
PNG
(CHEMBL4781952)
Show SMILES Cc1c(Cl)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1
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3.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB1R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50556533
PNG
(CHEMBL4781952)
Show SMILES Cc1c(Cl)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1
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4.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50556531
PNG
(CHEMBL4779298)
Show SMILES Cc1ccc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1
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4.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50556534
PNG
(CHEMBL4760014)
Show SMILES Cc1c(F)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1
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4.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB1R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50556535
PNG
(CHEMBL4782654)
Show SMILES Cc1c(cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1)-c1ccccc1
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5.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50556534
PNG
(CHEMBL4760014)
Show SMILES Cc1c(F)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1
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5.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50408220
PNG
(CHEMBL4175577)
Show SMILES Cc1ccn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C21H25FN2O2/c1-15-12-13-24(14-16-8-10-17(22)11-9-16)21(26)19(15)20(25)23-18-6-4-2-3-5-7-18/h8-13,18H,2-7,14H2,1H3,(H,23,25)
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5.90n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50408226
PNG
(CHEMBL4167303)
Show SMILES Cc1c(cn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1)-c1ccccc1
Show InChI InChI=1S/C27H29FN2O2/c1-19-24(21-9-5-4-6-10-21)18-30(17-20-13-15-22(28)16-14-20)27(32)25(19)26(31)29-23-11-7-2-3-8-12-23/h4-6,9-10,13-16,18,23H,2-3,7-8,11-12,17H2,1H3,(H,29,31)
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6.90n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50408215
PNG
(CHEMBL4175177)
Show SMILES COc1ccc(cc1)-c1cn(Cc2ccc(F)cc2)c(=O)c(C(=O)NC2CCCCCC2)c1C
Show InChI InChI=1S/C28H31FN2O3/c1-19-25(21-11-15-24(34-2)16-12-21)18-31(17-20-9-13-22(29)14-10-20)28(33)26(19)27(32)30-23-7-5-3-4-6-8-23/h9-16,18,23H,3-8,17H2,1-2H3,(H,30,32)
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7.90n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50556536
PNG
(CHEMBL4781965)
Show SMILES COc1ccc(cc1)-c1cc(C(=O)NC2CCCCCC2)c(=O)n(Cc2ccc(F)cc2)c1C
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9.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB1R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50408220
PNG
(CHEMBL4175577)
Show SMILES Cc1ccn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C21H25FN2O2/c1-15-12-13-24(14-16-8-10-17(22)11-9-16)21(26)19(15)20(25)23-18-6-4-2-3-5-7-18/h8-13,18H,2-7,14H2,1H3,(H,23,25)
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12n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50556541
PNG
(CHEMBL4756103)
Show SMILES Cc1ccc(C(=O)NC2CCCCCC2)c(OCc2ccc(F)cc2)n1
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17n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB1R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50408226
PNG
(CHEMBL4167303)
Show SMILES Cc1c(cn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1)-c1ccccc1
Show InChI InChI=1S/C27H29FN2O2/c1-19-24(21-9-5-4-6-10-21)18-30(17-20-13-15-22(28)16-14-20)27(32)25(19)26(31)29-23-11-7-2-3-8-12-23/h4-6,9-10,13-16,18,23H,2-3,7-8,11-12,17H2,1H3,(H,29,31)
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23n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50556536
PNG
(CHEMBL4781965)
Show SMILES COc1ccc(cc1)-c1cc(C(=O)NC2CCCCCC2)c(=O)n(Cc2ccc(F)cc2)c1C
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26n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50556537
PNG
(CHEMBL4757488)
Show SMILES Cc1c(cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1)-c1ccc(F)cc1
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29n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50408215
PNG
(CHEMBL4175177)
Show SMILES COc1ccc(cc1)-c1cn(Cc2ccc(F)cc2)c(=O)c(C(=O)NC2CCCCCC2)c1C
Show InChI InChI=1S/C28H31FN2O3/c1-19-25(21-11-15-24(34-2)16-12-21)18-31(17-20-9-13-22(29)14-10-20)28(33)26(19)27(32)30-23-7-5-3-4-6-8-23/h9-16,18,23H,3-8,17H2,1-2H3,(H,30,32)
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31n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50556541
PNG
(CHEMBL4756103)
Show SMILES Cc1ccc(C(=O)NC2CCCCCC2)c(OCc2ccc(F)cc2)n1
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34n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50556531
PNG
(CHEMBL4779298)
Show SMILES Cc1ccc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1
PDB

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38n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB1R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50408218
PNG
(CHEMBL4163771)
Show SMILES Cc1ccnc(OCc2ccc(F)cc2)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C21H25FN2O2/c1-15-12-13-23-21(26-14-16-8-10-17(22)11-9-16)19(15)20(25)24-18-6-4-2-3-5-7-18/h8-13,18H,2-7,14H2,1H3,(H,24,25)
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46n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50556537
PNG
(CHEMBL4757488)
Show SMILES Cc1c(cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1)-c1ccc(F)cc1
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49n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB1R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50556542
PNG
(CHEMBL4780771)
Show SMILES Cc1nc(OCc2ccc(F)cc2)c(cc1Br)C(=O)NC1CCCCCC1
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76n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB1R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50408222
PNG
(CHEMBL4174442)
Show SMILES Cc1c(Br)cnc(OCc2ccc(F)cc2)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C21H24BrFN2O2/c1-14-18(22)12-24-21(27-13-15-8-10-16(23)11-9-15)19(14)20(26)25-17-6-4-2-3-5-7-17/h8-12,17H,2-7,13H2,1H3,(H,25,26)
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113n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50408218
PNG
(CHEMBL4163771)
Show SMILES Cc1ccnc(OCc2ccc(F)cc2)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C21H25FN2O2/c1-15-12-13-23-21(26-14-16-8-10-17(22)11-9-16)19(15)20(25)24-18-6-4-2-3-5-7-18/h8-13,18H,2-7,14H2,1H3,(H,24,25)
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131n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50556535
PNG
(CHEMBL4782654)
Show SMILES Cc1c(cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1)-c1ccccc1
PDB

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176n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB1R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50408214
PNG
(CHEMBL4163852)
Show SMILES Fc1ccc(Cn2ccc(-c3ccccc3)c(C(=O)NC3CCCCCC3)c2=O)cc1
Show InChI InChI=1S/C26H27FN2O2/c27-21-14-12-19(13-15-21)18-29-17-16-23(20-8-4-3-5-9-20)24(26(29)31)25(30)28-22-10-6-1-2-7-11-22/h3-5,8-9,12-17,22H,1-2,6-7,10-11,18H2,(H,28,30)
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187n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50217078
PNG
(2-hydroxy-6-methoxy-3',5'-dimethyl-biphenyl-4-carb...)
Show SMILES CCCCCOC(=O)c1cc(O)c(c(OC)c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C21H26O4/c1-5-6-7-8-25-21(23)17-12-18(22)20(19(13-17)24-4)16-10-14(2)9-15(3)11-16/h9-13,22H,5-8H2,1-4H3
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270n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB2 receptor


Bioorg Med Chem Lett 17: 4878-81 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.055
BindingDB Entry DOI: 10.7270/Q2QF8SKS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50408219
PNG
(CHEMBL4165369)
Show SMILES Fc1ccc(Cn2cc(Br)c(-c3ccccc3)c(C(=O)NC3CCCCCC3)c2=O)cc1
Show InChI InChI=1S/C26H26BrFN2O2/c27-22-17-30(16-18-12-14-20(28)15-13-18)26(32)24(23(22)19-8-4-3-5-9-19)25(31)29-21-10-6-1-2-7-11-21/h3-5,8-9,12-15,17,21H,1-2,6-7,10-11,16H2,(H,29,31)
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437n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50556544
PNG
(CHEMBL4792271)
Show SMILES Cc1nc(OCc2ccc(F)cc2)c(cc1-c1ccc(F)cc1)C(=O)NC1CCCCCC1
PDB

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531n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50408222
PNG
(CHEMBL4174442)
Show SMILES Cc1c(Br)cnc(OCc2ccc(F)cc2)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C21H24BrFN2O2/c1-14-18(22)12-24-21(27-13-15-8-10-16(23)11-9-15)19(14)20(26)25-17-6-4-2-3-5-7-17/h8-12,17H,2-7,13H2,1H3,(H,25,26)
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606n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50556543
PNG
(CHEMBL4753784)
Show SMILES COc1ccc(cc1)-c1cc(C(=O)NC2CCCCCC2)c(OCc2ccc(F)cc2)nc1C
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919n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50217074
PNG
(2,6-dihydroxy-3',5'-dimethyl-biphenyl-4-carboxylic...)
Show SMILES CCCCCOC(=O)c1cc(O)c(c(O)c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C20H24O4/c1-4-5-6-7-24-20(23)16-11-17(21)19(18(22)12-16)15-9-13(2)8-14(3)10-15/h8-12,21-22H,4-7H2,1-3H3
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1.10E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB2 receptor


Bioorg Med Chem Lett 17: 4878-81 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.055
BindingDB Entry DOI: 10.7270/Q2QF8SKS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50217078
PNG
(2-hydroxy-6-methoxy-3',5'-dimethyl-biphenyl-4-carb...)
Show SMILES CCCCCOC(=O)c1cc(O)c(c(OC)c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C21H26O4/c1-5-6-7-8-25-21(23)17-12-18(22)20(19(13-17)24-4)16-10-14(2)9-15(3)11-16/h9-13,22H,5-8H2,1-4H3
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1.40E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB1 receptor


Bioorg Med Chem Lett 17: 4878-81 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.055
BindingDB Entry DOI: 10.7270/Q2QF8SKS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50217074
PNG
(2,6-dihydroxy-3',5'-dimethyl-biphenyl-4-carboxylic...)
Show SMILES CCCCCOC(=O)c1cc(O)c(c(O)c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C20H24O4/c1-4-5-6-7-24-20(23)16-11-17(21)19(18(22)12-16)15-9-13(2)8-14(3)10-15/h8-12,21-22H,4-7H2,1-3H3
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2.00E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB1 receptor


Bioorg Med Chem Lett 17: 4878-81 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.055
BindingDB Entry DOI: 10.7270/Q2QF8SKS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50217077
PNG
(2,6-dihydroxy-3',5'-dimethyl-biphenyl-4-carboxylic...)
Show SMILES CCCCOC(=O)c1cc(O)c(c(O)c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C19H22O4/c1-4-5-6-23-19(22)15-10-16(20)18(17(21)11-15)14-8-12(2)7-13(3)9-14/h7-11,20-21H,4-6H2,1-3H3
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2.60E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB1 receptor


Bioorg Med Chem Lett 17: 4878-81 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.055
BindingDB Entry DOI: 10.7270/Q2QF8SKS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50217077
PNG
(2,6-dihydroxy-3',5'-dimethyl-biphenyl-4-carboxylic...)
Show SMILES CCCCOC(=O)c1cc(O)c(c(O)c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C19H22O4/c1-4-5-6-23-19(22)15-10-16(20)18(17(21)11-15)14-8-12(2)7-13(3)9-14/h7-11,20-21H,4-6H2,1-3H3
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3.20E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB2 receptor


Bioorg Med Chem Lett 17: 4878-81 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.055
BindingDB Entry DOI: 10.7270/Q2QF8SKS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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3.30E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5-HT1A receptor expressed in human HeLa cells


J Med Chem 51: 7602-13 (2008)


Article DOI: 10.1021/jm800928j
BindingDB Entry DOI: 10.7270/Q27W6C2G
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50217080
PNG
(2,6-dihydroxy-biphenyl-4-carboxylic acid pentyl es...)
Show SMILES CCCCCOC(=O)c1cc(O)c(c(O)c1)-c1ccccc1
Show InChI InChI=1S/C18H20O4/c1-2-3-7-10-22-18(21)14-11-15(19)17(16(20)12-14)13-8-5-4-6-9-13/h4-6,8-9,11-12,19-20H,2-3,7,10H2,1H3
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4.00E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB2 receptor


Bioorg Med Chem Lett 17: 4878-81 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.055
BindingDB Entry DOI: 10.7270/Q2QF8SKS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50217071
PNG
(2,6-dihydroxy-3',5'-dimethyl-biphenyl-4-carboxylic...)
Show SMILES COC(=O)c1cc(O)c(c(O)c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C16H16O4/c1-9-4-10(2)6-11(5-9)15-13(17)7-12(8-14(15)18)16(19)20-3/h4-8,17-18H,1-3H3
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4.50E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB2 receptor


Bioorg Med Chem Lett 17: 4878-81 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.055
BindingDB Entry DOI: 10.7270/Q2QF8SKS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50556544
PNG
(CHEMBL4792271)
Show SMILES Cc1nc(OCc2ccc(F)cc2)c(cc1-c1ccc(F)cc1)C(=O)NC1CCCCCC1
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4.60E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB1R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50197201
PNG
(1-(2-(benzyloxy)phenethyl)-3-methoxybenzene | 1-(b...)
Show SMILES COc1cccc(CCc2ccccc2OCc2ccccc2)c1
Show InChI InChI=1S/C22H22O2/c1-23-21-12-7-10-18(16-21)14-15-20-11-5-6-13-22(20)24-17-19-8-3-2-4-9-19/h2-13,16H,14-15,17H2,1H3
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5.00E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor


J Med Chem 49: 6607-13 (2006)


Article DOI: 10.1021/jm060639z
BindingDB Entry DOI: 10.7270/Q2HQ3ZJD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50197196
PNG
(3-((2-(3-methoxyphenethyl)phenoxy)methyl)pyridine ...)
Show SMILES COc1cccc(CCc2ccccc2OCc2cccnc2)c1
Show InChI InChI=1S/C21H21NO2/c1-23-20-9-4-6-17(14-20)11-12-19-8-2-3-10-21(19)24-16-18-7-5-13-22-15-18/h2-10,13-15H,11-12,16H2,1H3
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5.00E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Binding affinity to D2 receptor


J Med Chem 49: 6607-13 (2006)


Article DOI: 10.1021/jm060639z
BindingDB Entry DOI: 10.7270/Q2HQ3ZJD
More data for this
Ligand-Target Pair
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