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PubMed code 25935384

Compile data set for download or QSAR
Found 26 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50082777
PNG
(CHEMBL3422784)
Show SMILES CC1CCC(CC1)NC(=O)c1cc2ccccc2n(Cc2ccc(F)cc2)c1=O |(9.06,6.01,;7.99,5.4,;6.66,6.17,;5.33,5.4,;5.33,3.86,;6.66,3.09,;7.99,3.86,;3.99,3.08,;3.99,1.54,;5.06,.93,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-3.08,;2.67,-3.85,;2.68,-5.39,;4.01,-6.15,;5.34,-5.38,;6.41,-5.99,;5.34,-3.84,;4,-3.07,;2.66,-.77,;3.73,-1.38,)|
Show InChI InChI=1S/C24H25FN2O2/c1-16-6-12-20(13-7-16)26-23(28)21-14-18-4-2-3-5-22(18)27(24(21)29)15-17-8-10-19(25)11-9-17/h2-5,8-11,14,16,20H,6-7,12-13,15H2,1H3,(H,26,28)
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0.75n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from recombinant human CB2 receptor overexpressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 97: 10-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.034
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50082769
PNG
(CHEMBL3422790)
Show SMILES CC1CCC(CC1)NC(=O)c1c(O)c2cccnc2n(Cc2ccc(F)cc2)c1=O |(9.06,6.01,;7.99,5.4,;6.66,6.17,;5.33,5.4,;5.33,3.86,;6.66,3.09,;7.99,3.86,;3.99,3.08,;3.99,1.54,;5.06,.93,;2.66,.77,;1.33,1.54,;1.33,2.77,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-3.08,;2.67,-3.85,;2.68,-5.39,;4.01,-6.15,;5.34,-5.38,;6.41,-5.99,;5.34,-3.84,;4,-3.07,;2.66,-.77,;3.73,-1.38,)|
Show InChI InChI=1S/C23H24FN3O3/c1-14-4-10-17(11-5-14)26-22(29)19-20(28)18-3-2-12-25-21(18)27(23(19)30)13-15-6-8-16(24)9-7-15/h2-3,6-9,12,14,17,28H,4-5,10-11,13H2,1H3,(H,26,29)
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0.75n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from recombinant human CB2 receptor overexpressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 97: 10-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.034
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50082768
PNG
(CHEMBL3422788)
Show SMILES CCCCCn1c2ccccc2cc(C(=O)NC2CCC(C)CC2)c1=O |(4.01,-7.39,;4.01,-6.16,;2.67,-5.39,;2.67,-3.85,;1.33,-3.08,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.99,1.54,;5.06,.93,;3.99,3.08,;5.33,3.86,;5.33,5.4,;6.66,6.17,;7.99,5.4,;9.06,6.01,;7.99,3.86,;6.66,3.09,;2.66,-.77,;3.73,-1.38,)|
Show InChI InChI=1S/C22H30N2O2/c1-3-4-7-14-24-20-9-6-5-8-17(20)15-19(22(24)26)21(25)23-18-12-10-16(2)11-13-18/h5-6,8-9,15-16,18H,3-4,7,10-14H2,1-2H3,(H,23,25)
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1.5n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from recombinant human CB2 receptor overexpressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 97: 10-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.034
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


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



University of Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from recombinant human CB2 receptor overexpressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 97: 10-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.034
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50082776
PNG
(CHEMBL3422785)
Show SMILES CC1CCC(CC1)NC(=O)c1cc2ccccc2n(CCN2CCOCC2)c1=O |(9.06,6.01,;7.99,5.4,;6.66,6.17,;5.33,5.4,;5.33,3.86,;6.66,3.09,;7.99,3.86,;3.99,3.08,;3.99,1.54,;5.06,.93,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-3.08,;2.67,-3.85,;2.67,-5.39,;4.01,-6.16,;4.01,-7.7,;2.67,-8.47,;1.34,-7.7,;1.34,-6.16,;2.66,-.77,;3.73,-1.38,)|
Show InChI InChI=1S/C23H31N3O3/c1-17-6-8-19(9-7-17)24-22(27)20-16-18-4-2-3-5-21(18)26(23(20)28)11-10-25-12-14-29-15-13-25/h2-5,16-17,19H,6-15H2,1H3,(H,24,27)
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4.20n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from recombinant human CB2 receptor overexpressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 97: 10-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.034
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50082772
PNG
(CHEMBL3422791)
Show SMILES CC1CCC(CC1)NC(=O)c1c(O)c2cccnc2n(CCN2CCOCC2)c1=O |(9.06,6.01,;7.99,5.4,;6.66,6.17,;5.33,5.4,;5.33,3.86,;6.66,3.09,;7.99,3.86,;3.99,3.08,;3.99,1.54,;5.06,.93,;2.66,.77,;1.33,1.54,;1.33,2.77,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-3.08,;2.67,-3.85,;2.67,-5.39,;4.01,-6.16,;4.01,-7.7,;2.67,-8.47,;1.34,-7.7,;1.34,-6.16,;2.66,-.77,;3.73,-1.38,)|
Show InChI InChI=1S/C22H30N4O4/c1-15-4-6-16(7-5-15)24-21(28)18-19(27)17-3-2-8-23-20(17)26(22(18)29)10-9-25-11-13-30-14-12-25/h2-3,8,15-16,27H,4-7,9-14H2,1H3,(H,24,28)
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7.40n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from recombinant human CB2 receptor overexpressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 97: 10-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.034
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50082771
PNG
(CHEMBL3422792)
Show SMILES CCCCn1c2ncccc2c(O)c(C(=O)NC2CCC(C)CC2)c1=O |(3.74,-6,;2.67,-5.39,;2.67,-3.85,;1.33,-3.08,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.33,2.77,;2.66,.77,;3.99,1.54,;5.06,.93,;3.99,3.08,;5.33,3.86,;5.33,5.4,;6.66,6.17,;7.99,5.4,;9.06,6.01,;7.99,3.86,;6.66,3.09,;2.66,-.77,;3.73,-1.38,)|
Show InChI InChI=1S/C20H27N3O3/c1-3-4-12-23-18-15(6-5-11-21-18)17(24)16(20(23)26)19(25)22-14-9-7-13(2)8-10-14/h5-6,11,13-14,24H,3-4,7-10,12H2,1-2H3,(H,22,25)
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11n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from recombinant human CB2 receptor overexpressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 97: 10-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.034
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50082777
PNG
(CHEMBL3422784)
Show SMILES CC1CCC(CC1)NC(=O)c1cc2ccccc2n(Cc2ccc(F)cc2)c1=O |(9.06,6.01,;7.99,5.4,;6.66,6.17,;5.33,5.4,;5.33,3.86,;6.66,3.09,;7.99,3.86,;3.99,3.08,;3.99,1.54,;5.06,.93,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-3.08,;2.67,-3.85,;2.68,-5.39,;4.01,-6.15,;5.34,-5.38,;6.41,-5.99,;5.34,-3.84,;4,-3.07,;2.66,-.77,;3.73,-1.38,)|
Show InChI InChI=1S/C24H25FN2O2/c1-16-6-12-20(13-7-16)26-23(28)21-14-18-4-2-3-5-22(18)27(24(21)29)15-17-8-10-19(25)11-9-17/h2-5,8-11,14,16,20H,6-7,12-13,15H2,1H3,(H,26,28)
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19n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from recombinant human CB1 receptor overexpressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 97: 10-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.034
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50082774
PNG
(CHEMBL3422787)
Show SMILES CCCCn1c2ccccc2cc(C(=O)NC2CCC(C)CC2)c1=O |(3.74,-6,;2.67,-5.39,;2.67,-3.85,;1.33,-3.08,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.99,1.54,;5.06,.93,;3.99,3.08,;5.33,3.86,;5.33,5.4,;6.66,6.17,;7.99,5.4,;9.06,6.01,;7.99,3.86,;6.66,3.09,;2.66,-.77,;3.73,-1.38,)|
Show InChI InChI=1S/C21H28N2O2/c1-3-4-13-23-19-8-6-5-7-16(19)14-18(21(23)25)20(24)22-17-11-9-15(2)10-12-17/h5-8,14-15,17H,3-4,9-13H2,1-2H3,(H,22,24)
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20n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from recombinant human CB2 receptor overexpressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 97: 10-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.034
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50082775
PNG
(CHEMBL3422786)
Show SMILES CCCn1c2ccccc2cc(C(=O)NC2CCC(C)CC2)c1=O |(2.67,-5.08,;2.67,-3.85,;1.33,-3.08,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.99,1.54,;5.06,.93,;3.99,3.08,;5.33,3.86,;5.33,5.4,;6.66,6.17,;7.99,5.4,;9.06,6.01,;7.99,3.86,;6.66,3.09,;2.66,-.77,;3.73,-1.38,)|
Show InChI InChI=1S/C20H26N2O2/c1-3-12-22-18-7-5-4-6-15(18)13-17(20(22)24)19(23)21-16-10-8-14(2)9-11-16/h4-7,13-14,16H,3,8-12H2,1-2H3,(H,21,23)
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25n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from recombinant human CB2 receptor overexpressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 97: 10-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.034
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50082773
PNG
(CHEMBL3422789)
Show SMILES CC1CCC(CC1)NC(=O)c1cc2ccccc2n(CCCO)c1=O |(9.06,6.01,;7.99,5.4,;6.66,6.17,;5.33,5.4,;5.33,3.86,;6.66,3.09,;7.99,3.86,;3.99,3.08,;3.99,1.54,;5.06,.93,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-3.08,;2.67,-3.85,;2.67,-5.39,;3.74,-6,;2.66,-.77,;3.73,-1.38,)|
Show InChI InChI=1S/C20H26N2O3/c1-14-7-9-16(10-8-14)21-19(24)17-13-15-5-2-3-6-18(15)22(20(17)25)11-4-12-23/h2-3,5-6,13-14,16,23H,4,7-12H2,1H3,(H,21,24)
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36n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from recombinant human CB2 receptor overexpressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 97: 10-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.034
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50082769
PNG
(CHEMBL3422790)
Show SMILES CC1CCC(CC1)NC(=O)c1c(O)c2cccnc2n(Cc2ccc(F)cc2)c1=O |(9.06,6.01,;7.99,5.4,;6.66,6.17,;5.33,5.4,;5.33,3.86,;6.66,3.09,;7.99,3.86,;3.99,3.08,;3.99,1.54,;5.06,.93,;2.66,.77,;1.33,1.54,;1.33,2.77,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-3.08,;2.67,-3.85,;2.68,-5.39,;4.01,-6.15,;5.34,-5.38,;6.41,-5.99,;5.34,-3.84,;4,-3.07,;2.66,-.77,;3.73,-1.38,)|
Show InChI InChI=1S/C23H24FN3O3/c1-14-4-10-17(11-5-14)26-22(29)19-20(28)18-3-2-12-25-21(18)27(23(19)30)13-15-6-8-16(24)9-7-15/h2-3,6-9,12,14,17,28H,4-5,10-11,13H2,1H3,(H,26,29)
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139n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from recombinant human CB1 receptor overexpressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 97: 10-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.034
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50082770
PNG
(CHEMBL3422793)
Show SMILES CC1CCC(CC1)NC(=O)c1c(O)c2cccnc2n(CCCO)c1=O |(9.06,6.01,;7.99,5.4,;6.66,6.17,;5.33,5.4,;5.33,3.86,;6.66,3.09,;7.99,3.86,;3.99,3.08,;3.99,1.54,;5.06,.93,;2.66,.77,;1.33,1.54,;1.33,2.77,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-3.08,;2.67,-3.85,;2.67,-5.39,;3.74,-6,;2.66,-.77,;3.73,-1.38,)|
Show InChI InChI=1S/C19H25N3O4/c1-12-5-7-13(8-6-12)21-18(25)15-16(24)14-4-2-9-20-17(14)22(19(15)26)10-3-11-23/h2,4,9,12-13,23-24H,3,5-8,10-11H2,1H3,(H,21,25)
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215n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from recombinant human CB2 receptor overexpressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 97: 10-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.034
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50082768
PNG
(CHEMBL3422788)
Show SMILES CCCCCn1c2ccccc2cc(C(=O)NC2CCC(C)CC2)c1=O |(4.01,-7.39,;4.01,-6.16,;2.67,-5.39,;2.67,-3.85,;1.33,-3.08,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.99,1.54,;5.06,.93,;3.99,3.08,;5.33,3.86,;5.33,5.4,;6.66,6.17,;7.99,5.4,;9.06,6.01,;7.99,3.86,;6.66,3.09,;2.66,-.77,;3.73,-1.38,)|
Show InChI InChI=1S/C22H30N2O2/c1-3-4-7-14-24-20-9-6-5-8-17(20)15-19(22(24)26)21(25)23-18-12-10-16(2)11-13-18/h5-6,8-9,15-16,18H,3-4,7,10-14H2,1-2H3,(H,23,25)
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227n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from recombinant human CB1 receptor overexpressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 97: 10-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.034
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50082774
PNG
(CHEMBL3422787)
Show SMILES CCCCn1c2ccccc2cc(C(=O)NC2CCC(C)CC2)c1=O |(3.74,-6,;2.67,-5.39,;2.67,-3.85,;1.33,-3.08,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.99,1.54,;5.06,.93,;3.99,3.08,;5.33,3.86,;5.33,5.4,;6.66,6.17,;7.99,5.4,;9.06,6.01,;7.99,3.86,;6.66,3.09,;2.66,-.77,;3.73,-1.38,)|
Show InChI InChI=1S/C21H28N2O2/c1-3-4-13-23-19-8-6-5-7-16(19)14-18(21(23)25)20(24)22-17-11-9-15(2)10-12-17/h5-8,14-15,17H,3-4,9-13H2,1-2H3,(H,22,24)
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551n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from recombinant human CB1 receptor overexpressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 97: 10-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.034
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50082772
PNG
(CHEMBL3422791)
Show SMILES CC1CCC(CC1)NC(=O)c1c(O)c2cccnc2n(CCN2CCOCC2)c1=O |(9.06,6.01,;7.99,5.4,;6.66,6.17,;5.33,5.4,;5.33,3.86,;6.66,3.09,;7.99,3.86,;3.99,3.08,;3.99,1.54,;5.06,.93,;2.66,.77,;1.33,1.54,;1.33,2.77,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-3.08,;2.67,-3.85,;2.67,-5.39,;4.01,-6.16,;4.01,-7.7,;2.67,-8.47,;1.34,-7.7,;1.34,-6.16,;2.66,-.77,;3.73,-1.38,)|
Show InChI InChI=1S/C22H30N4O4/c1-15-4-6-16(7-5-15)24-21(28)18-19(27)17-3-2-8-23-20(17)26(22(18)29)10-9-25-11-13-30-14-12-25/h2-3,8,15-16,27H,4-7,9-14H2,1H3,(H,24,28)
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630n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from recombinant human CB1 receptor overexpressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 97: 10-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.034
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


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



University of Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from recombinant human CB1 receptor overexpressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 97: 10-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.034
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50082771
PNG
(CHEMBL3422792)
Show SMILES CCCCn1c2ncccc2c(O)c(C(=O)NC2CCC(C)CC2)c1=O |(3.74,-6,;2.67,-5.39,;2.67,-3.85,;1.33,-3.08,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.33,2.77,;2.66,.77,;3.99,1.54,;5.06,.93,;3.99,3.08,;5.33,3.86,;5.33,5.4,;6.66,6.17,;7.99,5.4,;9.06,6.01,;7.99,3.86,;6.66,3.09,;2.66,-.77,;3.73,-1.38,)|
Show InChI InChI=1S/C20H27N3O3/c1-3-4-12-23-18-15(6-5-11-21-18)17(24)16(20(23)26)19(25)22-14-9-7-13(2)8-10-14/h5-6,11,13-14,24H,3-4,7-10,12H2,1-2H3,(H,22,25)
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702n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from recombinant human CB1 receptor overexpressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 97: 10-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.034
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50082776
PNG
(CHEMBL3422785)
Show SMILES CC1CCC(CC1)NC(=O)c1cc2ccccc2n(CCN2CCOCC2)c1=O |(9.06,6.01,;7.99,5.4,;6.66,6.17,;5.33,5.4,;5.33,3.86,;6.66,3.09,;7.99,3.86,;3.99,3.08,;3.99,1.54,;5.06,.93,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-3.08,;2.67,-3.85,;2.67,-5.39,;4.01,-6.16,;4.01,-7.7,;2.67,-8.47,;1.34,-7.7,;1.34,-6.16,;2.66,-.77,;3.73,-1.38,)|
Show InChI InChI=1S/C23H31N3O3/c1-17-6-8-19(9-7-17)24-22(27)20-16-18-4-2-3-5-21(18)26(23(20)28)11-10-25-12-14-29-15-13-25/h2-5,16-17,19H,6-15H2,1H3,(H,24,27)
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800n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from recombinant human CB1 receptor overexpressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 97: 10-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.034
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50082775
PNG
(CHEMBL3422786)
Show SMILES CCCn1c2ccccc2cc(C(=O)NC2CCC(C)CC2)c1=O |(2.67,-5.08,;2.67,-3.85,;1.33,-3.08,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.99,1.54,;5.06,.93,;3.99,3.08,;5.33,3.86,;5.33,5.4,;6.66,6.17,;7.99,5.4,;9.06,6.01,;7.99,3.86,;6.66,3.09,;2.66,-.77,;3.73,-1.38,)|
Show InChI InChI=1S/C20H26N2O2/c1-3-12-22-18-7-5-4-6-15(18)13-17(20(22)24)19(23)21-16-10-8-14(2)9-11-16/h4-7,13-14,16H,3,8-12H2,1-2H3,(H,21,23)
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2.61E+3n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from recombinant human CB1 receptor overexpressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 97: 10-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.034
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50082773
PNG
(CHEMBL3422789)
Show SMILES CC1CCC(CC1)NC(=O)c1cc2ccccc2n(CCCO)c1=O |(9.06,6.01,;7.99,5.4,;6.66,6.17,;5.33,5.4,;5.33,3.86,;6.66,3.09,;7.99,3.86,;3.99,3.08,;3.99,1.54,;5.06,.93,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-3.08,;2.67,-3.85,;2.67,-5.39,;3.74,-6,;2.66,-.77,;3.73,-1.38,)|
Show InChI InChI=1S/C20H26N2O3/c1-14-7-9-16(10-8-14)21-19(24)17-13-15-5-2-3-6-18(15)22(20(17)25)11-4-12-23/h2-3,5-6,13-14,16,23H,4,7-12H2,1H3,(H,21,24)
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3.76E+3n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from recombinant human CB1 receptor overexpressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 97: 10-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.034
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50082770
PNG
(CHEMBL3422793)
Show SMILES CC1CCC(CC1)NC(=O)c1c(O)c2cccnc2n(CCCO)c1=O |(9.06,6.01,;7.99,5.4,;6.66,6.17,;5.33,5.4,;5.33,3.86,;6.66,3.09,;7.99,3.86,;3.99,3.08,;3.99,1.54,;5.06,.93,;2.66,.77,;1.33,1.54,;1.33,2.77,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-3.08,;2.67,-3.85,;2.67,-5.39,;3.74,-6,;2.66,-.77,;3.73,-1.38,)|
Show InChI InChI=1S/C19H25N3O4/c1-12-5-7-13(8-6-12)21-18(25)15-16(24)14-4-2-9-20-17(14)22(19(15)26)10-3-11-23/h2,4,9,12-13,23-24H,3,5-8,10-11H2,1H3,(H,21,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from recombinant human CB1 receptor overexpressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 97: 10-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.034
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50067499
PNG
((6aR,10aR)-3(1,1-dimethylheptyl)-9-hydroxymethyl)-...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |r,c:18|
Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m1/s1
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n/an/an/an/a 0.631n/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cell membranes after 90 mins by [35S]-GTPgammaS assay


Eur J Med Chem 97: 10-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.034
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50082769
PNG
(CHEMBL3422790)
Show SMILES CC1CCC(CC1)NC(=O)c1c(O)c2cccnc2n(Cc2ccc(F)cc2)c1=O |(9.06,6.01,;7.99,5.4,;6.66,6.17,;5.33,5.4,;5.33,3.86,;6.66,3.09,;7.99,3.86,;3.99,3.08,;3.99,1.54,;5.06,.93,;2.66,.77,;1.33,1.54,;1.33,2.77,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-3.08,;2.67,-3.85,;2.68,-5.39,;4.01,-6.15,;5.34,-5.38,;6.41,-5.99,;5.34,-3.84,;4,-3.07,;2.66,-.77,;3.73,-1.38,)|
Show InChI InChI=1S/C23H24FN3O3/c1-14-4-10-17(11-5-14)26-22(29)19-20(28)18-3-2-12-25-21(18)27(23(19)30)13-15-6-8-16(24)9-7-15/h2-3,6-9,12,14,17,28H,4-5,10-11,13H2,1H3,(H,26,29)
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n/an/an/an/a 3.20n/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cell membranes after 90 mins by [35S]-GTPgammaS assay


Eur J Med Chem 97: 10-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.034
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50082768
PNG
(CHEMBL3422788)
Show SMILES CCCCCn1c2ccccc2cc(C(=O)NC2CCC(C)CC2)c1=O |(4.01,-7.39,;4.01,-6.16,;2.67,-5.39,;2.67,-3.85,;1.33,-3.08,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.99,1.54,;5.06,.93,;3.99,3.08,;5.33,3.86,;5.33,5.4,;6.66,6.17,;7.99,5.4,;9.06,6.01,;7.99,3.86,;6.66,3.09,;2.66,-.77,;3.73,-1.38,)|
Show InChI InChI=1S/C22H30N2O2/c1-3-4-7-14-24-20-9-6-5-8-17(20)15-19(22(24)26)21(25)23-18-12-10-16(2)11-13-18/h5-6,8-9,15-16,18H,3-4,7,10-14H2,1-2H3,(H,23,25)
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n/an/an/an/a 2.51E+3n/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Agonist activity at CB1 receptor in rat cerebellar membranes after 90 mins by [35S]-GTPgammaS assay


Eur J Med Chem 97: 10-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.034
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50082768
PNG
(CHEMBL3422788)
Show SMILES CCCCCn1c2ccccc2cc(C(=O)NC2CCC(C)CC2)c1=O |(4.01,-7.39,;4.01,-6.16,;2.67,-5.39,;2.67,-3.85,;1.33,-3.08,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.99,1.54,;5.06,.93,;3.99,3.08,;5.33,3.86,;5.33,5.4,;6.66,6.17,;7.99,5.4,;9.06,6.01,;7.99,3.86,;6.66,3.09,;2.66,-.77,;3.73,-1.38,)|
Show InChI InChI=1S/C22H30N2O2/c1-3-4-7-14-24-20-9-6-5-8-17(20)15-19(22(24)26)21(25)23-18-12-10-16(2)11-13-18/h5-6,8-9,15-16,18H,3-4,7,10-14H2,1-2H3,(H,23,25)
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n/an/an/an/a 2n/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cell membranes after 90 mins by [35S]-GTPgammaS assay


Eur J Med Chem 97: 10-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.034
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%