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PubMed code 27078864

Compile data set for download or QSAR
Found 46 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))
BDBM50157304
PNG
(3',5-di-2-propenyl-1,1'-biphenyl-2,4'-diol | 3',5-...)
Show SMILES Oc1ccc(cc1CC=C)-c1cc(CC=C)ccc1O
Show InChI InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2
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5.60n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50157304
PNG
(3',5-di-2-propenyl-1,1'-biphenyl-2,4'-diol | 3',5-...)
Show SMILES Oc1ccc(cc1CC=C)-c1cc(CC=C)ccc1O
Show InChI InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2
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6.5n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50165682
PNG
(CHEMBL3799936)
Show SMILES COc1c(Cc2ccc(F)cc2)cc(cc1C(=O)NC1CCCCCC1)-c1ccccc1
Show InChI InChI=1S/C15H18N2O6/c18-7-11-12(19)13(20)14(21)15(22-11)23-17-6-8-5-16-10-4-2-1-3-9(8)10/h1-6,11-16,18-21H,7H2/b17-6+/t11-,12+,13+,14-,15+/m1/s1
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84n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50165691
PNG
(CHEMBL3799723)
Show SMILES CCCCOc1ccc(cc1CC=C)-c1cc(CC=C)ccc1O
Show InChI InChI=1S/C13H17NO8/c15-5-9-10(18)11(19)12(20)13(21-9)22-14-4-6-3-7(16)1-2-8(6)17/h1-4,9-13,15-20H,5H2/b14-4+/t9?,10?,11-,12?,13-/m0/s1
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103n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50062498
PNG
(CHEMBL3397448)
Show SMILES COc1c(C)cc(cc1C(=O)NC1CCCCCC1)-c1ccccc1
Show InChI InChI=1S/C22H27NO2/c1-16-14-18(17-10-6-5-7-11-17)15-20(21(16)25-2)22(24)23-19-12-8-3-4-9-13-19/h5-7,10-11,14-15,19H,3-4,8-9,12-13H2,1-2H3,(H,23,24)
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148n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50165684
PNG
(CHEMBL3799151)
Show SMILES CCCCc1cc(cc(C(=O)NC2CCCCCC2)c1OC)-c1ccc(F)cc1
Show InChI InChI=1S/C13H15N3O10/c17-5-9-10(18)11(19)12(20)13(25-9)26-14-4-6-1-2-7(15(21)22)3-8(6)16(23)24/h1-4,9-13,17-20H,5H2
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166n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50165678
PNG
(CHEMBL3799538)
Show SMILES COc1ccc(cc1)-c1cc(Cc2ccc(F)cc2)c(OC)c(c1)C(=O)N[C@@H]1CC[C@H](C)CC1 |r,wD:27.29,30.33,(6.66,-5.09,;6.66,-3.86,;5.33,-3.08,;5.34,-1.54,;4,-.77,;2.67,-1.54,;2.67,-3.08,;4,-3.85,;1.33,-.77,;1.33,.77,;,1.54,;0,3.08,;1.34,3.85,;1.34,5.39,;2.68,6.15,;4.01,5.38,;5.08,5.99,;4.01,3.84,;2.67,3.07,;-1.33,.77,;-2.67,1.54,;-3.74,.92,;-1.33,-.77,;,-1.54,;-2.67,-1.54,;-3.73,-.93,;-2.66,-3.08,;-4,-3.86,;-4,-5.4,;-5.33,-6.17,;-6.66,-5.4,;-7.73,-6.01,;-6.66,-3.86,;-5.33,-3.09,)|
Show InChI InChI=1/C29H32FNO3/c1-19-4-12-25(13-5-19)31-29(32)27-18-22(21-8-14-26(33-2)15-9-21)17-23(28(27)34-3)16-20-6-10-24(30)11-7-20/h6-11,14-15,17-19,25H,4-5,12-13,16H2,1-3H3,(H,31,32)/t19-,25+
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196n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50062506
PNG
(CHEMBL3397520)
Show SMILES CCCCc1cc(cc(C(=O)NC2CCCCCC2)c1OC)-c1ccc(OC)cc1
Show InChI InChI=1S/C26H35NO3/c1-4-5-10-20-17-21(19-13-15-23(29-2)16-14-19)18-24(25(20)30-3)26(28)27-22-11-8-6-7-9-12-22/h13-18,22H,4-12H2,1-3H3,(H,27,28)
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249n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50165677
PNG
(CHEMBL3798133)
Show SMILES COc1c(Cc2ccc(F)cc2)cc(cc1C(=O)NC1CCCCCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H19NO6/c19-9-13-14(20)15(21)16(22)17(23-13)24-18-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-8,13-17,19-22H,9H2/b18-8+/t13?,14?,15-,16?,17-/m0/s1
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265n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50165675
PNG
(CHEMBL3797787)
Show SMILES COc1c(Cc2ccc(F)cc2)cc(cc1C(=O)N[C@@H]1CC[C@H](C)CC1)-c1ccc(F)cc1 |r,wD:19.20,22.24,(-3.74,.92,;-2.67,1.54,;-1.33,.77,;,1.54,;0,3.08,;1.34,3.85,;1.34,5.39,;2.68,6.15,;4.01,5.38,;5.08,5.99,;4.01,3.84,;2.67,3.07,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-3.73,-.93,;-2.66,-3.08,;-4,-3.86,;-4,-5.4,;-5.33,-6.17,;-6.66,-5.4,;-7.73,-6.01,;-6.66,-3.86,;-5.33,-3.09,;2.67,-1.54,;4,-.77,;5.34,-1.54,;5.33,-3.08,;6.4,-3.7,;4,-3.85,;2.67,-3.08,)|
Show InChI InChI=1S/C13H16FNO6/c14-8-3-1-2-7(4-8)5-15-21-13-12(19)11(18)10(17)9(6-16)20-13/h1-5,9-13,16-19H,6H2/b15-5+/t9?,10?,11-,12?,13-/m0/s1
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337n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50165687
PNG
(CHEMBL3798158)
Show SMILES CCCCc1cc(cc(C(=O)NC2CCCCCC2)c1OC)-c1ccccc1
Show InChI InChI=1S/C13H17NO6/c15-7-9-10(16)11(17)12(18)13(19-9)20-14-6-8-4-2-1-3-5-8/h1-6,9-13,15-18H,7H2/b14-6+/t9?,10?,11-,12?,13-/m0/s1
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352n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50165678
PNG
(CHEMBL3799538)
Show SMILES COc1ccc(cc1)-c1cc(Cc2ccc(F)cc2)c(OC)c(c1)C(=O)N[C@@H]1CC[C@H](C)CC1 |r,wD:27.29,30.33,(6.66,-5.09,;6.66,-3.86,;5.33,-3.08,;5.34,-1.54,;4,-.77,;2.67,-1.54,;2.67,-3.08,;4,-3.85,;1.33,-.77,;1.33,.77,;,1.54,;0,3.08,;1.34,3.85,;1.34,5.39,;2.68,6.15,;4.01,5.38,;5.08,5.99,;4.01,3.84,;2.67,3.07,;-1.33,.77,;-2.67,1.54,;-3.74,.92,;-1.33,-.77,;,-1.54,;-2.67,-1.54,;-3.73,-.93,;-2.66,-3.08,;-4,-3.86,;-4,-5.4,;-5.33,-6.17,;-6.66,-5.4,;-7.73,-6.01,;-6.66,-3.86,;-5.33,-3.09,)|
Show InChI InChI=1/C29H32FNO3/c1-19-4-12-25(13-5-19)31-29(32)27-18-22(21-8-14-26(33-2)15-9-21)17-23(28(27)34-3)16-20-6-10-24(30)11-7-20/h6-11,14-15,17-19,25H,4-5,12-13,16H2,1-3H3,(H,31,32)/t19-,25+
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380n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50165685
PNG
(CHEMBL3800192)
Show SMILES CCCCc1cc(cc(C(=O)N[C@@H]2CC[C@H](C)CC2)c1OC)-c1ccccc1 |r,wD:12.11,15.15,(2.41,6,;1.34,5.39,;1.34,3.85,;0,3.08,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-3.73,-.93,;-2.66,-3.08,;-4,-3.86,;-4,-5.4,;-5.33,-6.17,;-6.66,-5.4,;-7.73,-6.01,;-6.66,-3.86,;-5.33,-3.09,;-1.33,.77,;-2.67,1.54,;-3.74,.92,;2.67,-1.54,;4,-.77,;5.34,-1.54,;5.33,-3.08,;4,-3.85,;2.67,-3.08,)|
Show InChI InChI=1S/C12H16N2O6/c15-6-8-9(16)10(17)11(18)12(19-8)20-14-5-7-1-3-13-4-2-7/h1-5,8-12,15-18H,6H2/b14-5+/t8?,9?,10-,11?,12-/m0/s1
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549n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50165674
PNG
(CHEMBL3798776)
Show SMILES COc1c(Cc2ccccc2)cc(cc1C(=O)NC1CCCCCC1)-c1ccccc1
Show InChI InChI=1S/C12H23NO6/c1-3-7(4-2)5-13-19-12-11(17)10(16)9(15)8(6-14)18-12/h5,7-12,14-17H,3-4,6H2,1-2H3/b13-5+/t8?,9?,10-,11?,12-/m0/s1
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594n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50165691
PNG
(CHEMBL3799723)
Show SMILES CCCCOc1ccc(cc1CC=C)-c1cc(CC=C)ccc1O
Show InChI InChI=1S/C13H17NO8/c15-5-9-10(18)11(19)12(20)13(21-9)22-14-4-6-3-7(16)1-2-8(6)17/h1-4,9-13,15-20H,5H2/b14-4+/t9?,10?,11-,12?,13-/m0/s1
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615n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50062498
PNG
(CHEMBL3397448)
Show SMILES COc1c(C)cc(cc1C(=O)NC1CCCCCC1)-c1ccccc1
Show InChI InChI=1S/C22H27NO2/c1-16-14-18(17-10-6-5-7-11-17)15-20(21(16)25-2)22(24)23-19-12-8-3-4-9-13-19/h5-7,10-11,14-15,19H,3-4,8-9,12-13H2,1-2H3,(H,23,24)
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656n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50165679
PNG
(CHEMBL3797983)
Show SMILES COc1ccc(cc1)-c1cc(Cc2ccc(F)cc2)c(OC)c(c1)C(=O)N[C@H]1CC[C@H](C)CC1 |r,wU:30.33,wD:27.29,(6.66,-5.09,;6.66,-3.86,;5.33,-3.08,;5.34,-1.54,;4,-.77,;2.67,-1.54,;2.67,-3.08,;4,-3.85,;1.33,-.77,;1.33,.77,;,1.54,;0,3.08,;1.34,3.85,;1.34,5.39,;2.68,6.15,;4.01,5.38,;5.08,5.99,;4.01,3.84,;2.67,3.07,;-1.33,.77,;-2.67,1.54,;-3.74,.92,;-1.33,-.77,;,-1.54,;-2.67,-1.54,;-3.73,-.93,;-2.66,-3.08,;-4,-3.86,;-5.33,-3.09,;-6.66,-3.86,;-6.66,-5.4,;-7.73,-6.01,;-5.33,-6.17,;-4,-5.4,)|
Show InChI InChI=1S/C13H17NO7/c15-6-9-10(17)11(18)12(19)13(20-9)21-14-5-7-3-1-2-4-8(7)16/h1-5,9-13,15-19H,6H2/b14-5+/t9?,10?,11-,12?,13-/m0/s1
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811n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50165680
PNG
(CHEMBL3799040)
Show SMILES COc1c(Cc2ccc(F)cc2)cc(cc1C(=O)N[C@@H]1CC[C@H](C)CC1)-c1ccccc1 |r,wD:19.20,22.24,(-3.74,.92,;-2.67,1.54,;-1.33,.77,;,1.54,;0,3.08,;1.34,3.85,;1.34,5.39,;2.68,6.15,;4.01,5.38,;5.08,5.99,;4.01,3.84,;2.67,3.07,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-3.73,-.93,;-2.66,-3.08,;-4,-3.86,;-4,-5.4,;-5.33,-6.17,;-6.66,-5.4,;-7.73,-6.01,;-6.66,-3.86,;-5.33,-3.09,;2.67,-1.54,;4,-.77,;5.34,-1.54,;5.33,-3.08,;4,-3.85,;2.67,-3.08,)|
Show InChI InChI=1S/C13H16FNO6/c14-8-3-1-7(2-4-8)5-15-21-13-12(19)11(18)10(17)9(6-16)20-13/h1-5,9-13,16-19H,6H2/b15-5+/t9?,10?,11-,12?,13-/m0/s1
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826n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50165682
PNG
(CHEMBL3799936)
Show SMILES COc1c(Cc2ccc(F)cc2)cc(cc1C(=O)NC1CCCCCC1)-c1ccccc1
Show InChI InChI=1S/C15H18N2O6/c18-7-11-12(19)13(20)14(21)15(22-11)23-17-6-8-5-16-10-4-2-1-3-9(8)10/h1-6,11-16,18-21H,7H2/b17-6+/t11-,12+,13+,14-,15+/m1/s1
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905n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50165675
PNG
(CHEMBL3797787)
Show SMILES COc1c(Cc2ccc(F)cc2)cc(cc1C(=O)N[C@@H]1CC[C@H](C)CC1)-c1ccc(F)cc1 |r,wD:19.20,22.24,(-3.74,.92,;-2.67,1.54,;-1.33,.77,;,1.54,;0,3.08,;1.34,3.85,;1.34,5.39,;2.68,6.15,;4.01,5.38,;5.08,5.99,;4.01,3.84,;2.67,3.07,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-3.73,-.93,;-2.66,-3.08,;-4,-3.86,;-4,-5.4,;-5.33,-6.17,;-6.66,-5.4,;-7.73,-6.01,;-6.66,-3.86,;-5.33,-3.09,;2.67,-1.54,;4,-.77,;5.34,-1.54,;5.33,-3.08,;6.4,-3.7,;4,-3.85,;2.67,-3.08,)|
Show InChI InChI=1S/C13H16FNO6/c14-8-3-1-2-7(4-8)5-15-21-13-12(19)11(18)10(17)9(6-16)20-13/h1-5,9-13,16-19H,6H2/b15-5+/t9?,10?,11-,12?,13-/m0/s1
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1.07E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50165676
PNG
(CHEMBL3799406)
Show SMILES COc1c(Cc2ccc(F)cc2)cc(cc1C(=O)N[C@H]1CC[C@H](C)CC1)-c1ccc(F)cc1 |r,wU:22.24,wD:19.20,(-3.74,.92,;-2.67,1.54,;-1.33,.77,;,1.54,;0,3.08,;1.34,3.85,;1.34,5.39,;2.68,6.15,;4.01,5.38,;5.08,5.99,;4.01,3.84,;2.67,3.07,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-3.73,-.93,;-2.66,-3.08,;-4,-3.86,;-5.33,-3.09,;-6.66,-3.86,;-6.66,-5.4,;-7.73,-6.01,;-5.33,-6.17,;-4,-5.4,;2.67,-1.54,;4,-.77,;5.34,-1.54,;5.33,-3.08,;6.4,-3.7,;4,-3.85,;2.67,-3.08,)|
Show InChI InChI=1S/C11H15NO7/c13-4-7-8(14)9(15)10(16)11(18-7)19-12-3-6-1-2-17-5-6/h1-3,5,7-11,13-16H,4H2/b12-3+/t7?,8?,9-,10?,11-/m0/s1
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1.09E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50165680
PNG
(CHEMBL3799040)
Show SMILES COc1c(Cc2ccc(F)cc2)cc(cc1C(=O)N[C@@H]1CC[C@H](C)CC1)-c1ccccc1 |r,wD:19.20,22.24,(-3.74,.92,;-2.67,1.54,;-1.33,.77,;,1.54,;0,3.08,;1.34,3.85,;1.34,5.39,;2.68,6.15,;4.01,5.38,;5.08,5.99,;4.01,3.84,;2.67,3.07,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-3.73,-.93,;-2.66,-3.08,;-4,-3.86,;-4,-5.4,;-5.33,-6.17,;-6.66,-5.4,;-7.73,-6.01,;-6.66,-3.86,;-5.33,-3.09,;2.67,-1.54,;4,-.77,;5.34,-1.54,;5.33,-3.08,;4,-3.85,;2.67,-3.08,)|
Show InChI InChI=1S/C13H16FNO6/c14-8-3-1-7(2-4-8)5-15-21-13-12(19)11(18)10(17)9(6-16)20-13/h1-5,9-13,16-19H,6H2/b15-5+/t9?,10?,11-,12?,13-/m0/s1
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1.11E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50165679
PNG
(CHEMBL3797983)
Show SMILES COc1ccc(cc1)-c1cc(Cc2ccc(F)cc2)c(OC)c(c1)C(=O)N[C@H]1CC[C@H](C)CC1 |r,wU:30.33,wD:27.29,(6.66,-5.09,;6.66,-3.86,;5.33,-3.08,;5.34,-1.54,;4,-.77,;2.67,-1.54,;2.67,-3.08,;4,-3.85,;1.33,-.77,;1.33,.77,;,1.54,;0,3.08,;1.34,3.85,;1.34,5.39,;2.68,6.15,;4.01,5.38,;5.08,5.99,;4.01,3.84,;2.67,3.07,;-1.33,.77,;-2.67,1.54,;-3.74,.92,;-1.33,-.77,;,-1.54,;-2.67,-1.54,;-3.73,-.93,;-2.66,-3.08,;-4,-3.86,;-5.33,-3.09,;-6.66,-3.86,;-6.66,-5.4,;-7.73,-6.01,;-5.33,-6.17,;-4,-5.4,)|
Show InChI InChI=1S/C13H17NO7/c15-6-9-10(17)11(18)12(19)13(20-9)21-14-5-7-3-1-2-4-8(7)16/h1-5,9-13,15-19H,6H2/b14-5+/t9?,10?,11-,12?,13-/m0/s1
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1.17E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50165685
PNG
(CHEMBL3800192)
Show SMILES CCCCc1cc(cc(C(=O)N[C@@H]2CC[C@H](C)CC2)c1OC)-c1ccccc1 |r,wD:12.11,15.15,(2.41,6,;1.34,5.39,;1.34,3.85,;0,3.08,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-3.73,-.93,;-2.66,-3.08,;-4,-3.86,;-4,-5.4,;-5.33,-6.17,;-6.66,-5.4,;-7.73,-6.01,;-6.66,-3.86,;-5.33,-3.09,;-1.33,.77,;-2.67,1.54,;-3.74,.92,;2.67,-1.54,;4,-.77,;5.34,-1.54,;5.33,-3.08,;4,-3.85,;2.67,-3.08,)|
Show InChI InChI=1S/C12H16N2O6/c15-6-8-9(16)10(17)11(18)12(19-8)20-14-5-7-1-3-13-4-2-7/h1-5,8-12,15-18H,6H2/b14-5+/t8?,9?,10-,11?,12-/m0/s1
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1.26E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50295927
PNG
(2,4'-Dimethoxy-5,3'-di-(2-propenyl)-biphenyl | 5,3...)
Show SMILES COc1ccc(cc1CC=C)-c1cc(CC=C)ccc1OC
Show InChI InChI=1S/C20H22O2/c1-5-7-15-9-11-20(22-4)18(13-15)16-10-12-19(21-3)17(14-16)8-6-2/h5-6,9-14H,1-2,7-8H2,3-4H3
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1.38E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50165683
PNG
(CHEMBL3798087)
Show SMILES CCCCc1cc(cc(C(=O)N[C@@H]2CC[C@H](C)CC2)c1OC)-c1ccc(F)cc1 |r,wD:12.11,15.15,(2.41,6,;1.34,5.39,;1.34,3.85,;0,3.08,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-3.73,-.93,;-2.66,-3.08,;-4,-3.86,;-4,-5.4,;-5.33,-6.17,;-6.66,-5.4,;-7.73,-6.01,;-6.66,-3.86,;-5.33,-3.09,;-1.33,.77,;-2.67,1.54,;-3.74,.92,;2.67,-1.54,;4,-.77,;5.34,-1.54,;5.33,-3.08,;6.4,-3.7,;4,-3.85,;2.67,-3.08,)|
Show InChI InChI=1S/C21H21NO6/c23-11-17-18(24)19(25)20(26)21(27-17)28-22-10-16-14-7-3-1-5-12(14)9-13-6-2-4-8-15(13)16/h1-10,17-21,23-26H,11H2/b22-10+/t17?,18?,19-,20?,21-/m0/s1
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1.41E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50165674
PNG
(CHEMBL3798776)
Show SMILES COc1c(Cc2ccccc2)cc(cc1C(=O)NC1CCCCCC1)-c1ccccc1
Show InChI InChI=1S/C12H23NO6/c1-3-7(4-2)5-13-19-12-11(17)10(16)9(15)8(6-14)18-12/h5,7-12,14-17H,3-4,6H2,1-2H3/b13-5+/t8?,9?,10-,11?,12-/m0/s1
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1.56E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50165693
PNG
(CHEMBL3798374)
Show SMILES CCCCc1cc(cc(C(=O)N[C@H]2CC[C@H](C)CC2)c1OC)-c1ccc(F)cc1 |r,wU:15.15,wD:12.11,(2.41,6,;1.34,5.39,;1.34,3.85,;0,3.08,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-3.73,-.93,;-2.66,-3.08,;-4,-3.86,;-5.33,-3.09,;-6.66,-3.86,;-6.66,-5.4,;-7.73,-6.01,;-5.33,-6.17,;-4,-5.4,;-1.33,.77,;-2.67,1.54,;-3.74,.92,;2.67,-1.54,;4,-.77,;5.34,-1.54,;5.33,-3.08,;6.4,-3.7,;4,-3.85,;2.67,-3.08,)|
Show InChI InChI=1S/C13H23NO6/c15-7-9-10(16)11(17)12(18)13(19-9)20-14-6-8-4-2-1-3-5-8/h6,8-13,15-18H,1-5,7H2/b14-6+/t9?,10?,11-,12?,13-/m0/s1
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1.76E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50165690
PNG
(CHEMBL3797904)
Show SMILES CCCCOc1ccc(cc1CC=C)-c1cc(CC=C)ccc1OCCCC
Show InChI InChI=1S/C15H22N2O6/c1-17(2)10-5-3-9(4-6-10)7-16-23-15-14(21)13(20)12(19)11(8-18)22-15/h3-7,11-15,18-21H,8H2,1-2H3/b16-7+/t11?,12?,13-,14?,15-/m0/s1
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1.78E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50165676
PNG
(CHEMBL3799406)
Show SMILES COc1c(Cc2ccc(F)cc2)cc(cc1C(=O)N[C@H]1CC[C@H](C)CC1)-c1ccc(F)cc1 |r,wU:22.24,wD:19.20,(-3.74,.92,;-2.67,1.54,;-1.33,.77,;,1.54,;0,3.08,;1.34,3.85,;1.34,5.39,;2.68,6.15,;4.01,5.38,;5.08,5.99,;4.01,3.84,;2.67,3.07,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-3.73,-.93,;-2.66,-3.08,;-4,-3.86,;-5.33,-3.09,;-6.66,-3.86,;-6.66,-5.4,;-7.73,-6.01,;-5.33,-6.17,;-4,-5.4,;2.67,-1.54,;4,-.77,;5.34,-1.54,;5.33,-3.08,;6.4,-3.7,;4,-3.85,;2.67,-3.08,)|
Show InChI InChI=1S/C11H15NO7/c13-4-7-8(14)9(15)10(16)11(18-7)19-12-3-6-1-2-17-5-6/h1-3,5,7-11,13-16H,4H2/b12-3+/t7?,8?,9-,10?,11-/m0/s1
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1.85E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50165687
PNG
(CHEMBL3798158)
Show SMILES CCCCc1cc(cc(C(=O)NC2CCCCCC2)c1OC)-c1ccccc1
Show InChI InChI=1S/C13H17NO6/c15-7-9-10(16)11(17)12(18)13(19-9)20-14-6-8-4-2-1-3-5-8/h1-6,9-13,15-18H,7H2/b14-6+/t9?,10?,11-,12?,13-/m0/s1
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1.86E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50165686
PNG
(CHEMBL3800638)
Show SMILES CCCCc1cc(cc(C(=O)N[C@H]2CC[C@H](C)CC2)c1OC)-c1ccccc1 |r,wU:15.15,wD:12.11,(2.41,6,;1.34,5.39,;1.34,3.85,;0,3.08,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-3.73,-.93,;-2.66,-3.08,;-4,-3.86,;-5.33,-3.09,;-6.66,-3.86,;-6.66,-5.4,;-7.73,-6.01,;-5.33,-6.17,;-4,-5.4,;-1.33,.77,;-2.67,1.54,;-3.74,.92,;2.67,-1.54,;4,-.77,;5.34,-1.54,;5.33,-3.08,;4,-3.85,;2.67,-3.08,)|
Show InChI InChI=1S/C15H18N2O6/c18-7-11-12(19)13(20)14(21)15(22-11)23-17-6-8-5-16-10-4-2-1-3-9(8)10/h1-6,11-16,18-21H,7H2/b17-6+/t11?,12?,13-,14?,15-/m0/s1
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2.39E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50165673
PNG
(CHEMBL3798474)
Show SMILES COc1c(Cc2ccccc2)cc(cc1C(=O)N[C@H]1CC[C@H](C)CC1)-c1ccccc1 |r,wU:21.23,wD:18.19,(-3.74,.92,;-2.67,1.54,;-1.33,.77,;,1.54,;0,3.08,;1.34,3.85,;1.34,5.39,;2.68,6.15,;4.01,5.38,;4.01,3.84,;2.67,3.07,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-3.73,-.93,;-2.66,-3.08,;-4,-3.86,;-5.33,-3.09,;-6.66,-3.86,;-6.66,-5.4,;-7.73,-6.01,;-5.33,-6.17,;-4,-5.4,;2.67,-1.54,;4,-.77,;5.34,-1.54,;5.33,-3.08,;4,-3.85,;2.67,-3.08,)|
Show InChI InChI=1S/C6H13NO6/c7-13-6-5(11)4(10)3(9)2(1-8)12-6/h2-6,8-11H,1,7H2/t2?,3?,4-,5?,6-/m0/s1
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2.50E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50165683
PNG
(CHEMBL3798087)
Show SMILES CCCCc1cc(cc(C(=O)N[C@@H]2CC[C@H](C)CC2)c1OC)-c1ccc(F)cc1 |r,wD:12.11,15.15,(2.41,6,;1.34,5.39,;1.34,3.85,;0,3.08,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-3.73,-.93,;-2.66,-3.08,;-4,-3.86,;-4,-5.4,;-5.33,-6.17,;-6.66,-5.4,;-7.73,-6.01,;-6.66,-3.86,;-5.33,-3.09,;-1.33,.77,;-2.67,1.54,;-3.74,.92,;2.67,-1.54,;4,-.77,;5.34,-1.54,;5.33,-3.08,;6.4,-3.7,;4,-3.85,;2.67,-3.08,)|
Show InChI InChI=1S/C21H21NO6/c23-11-17-18(24)19(25)20(26)21(27-17)28-22-10-16-14-7-3-1-5-12(14)9-13-6-2-4-8-15(13)16/h1-10,17-21,23-26H,11H2/b22-10+/t17?,18?,19-,20?,21-/m0/s1
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2.52E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50165681
PNG
(CHEMBL3797270)
Show SMILES COc1c(Cc2ccc(F)cc2)cc(cc1C(=O)N[C@H]1CC[C@H](C)CC1)-c1ccccc1 |r,wU:22.24,wD:19.20,(-3.74,.92,;-2.67,1.54,;-1.33,.77,;,1.54,;0,3.08,;1.34,3.85,;1.34,5.39,;2.68,6.15,;4.01,5.38,;5.08,5.99,;4.01,3.84,;2.67,3.07,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-3.73,-.93,;-2.66,-3.08,;-4,-3.86,;-5.33,-3.09,;-6.66,-3.86,;-6.66,-5.4,;-7.73,-6.01,;-5.33,-6.17,;-4,-5.4,;2.67,-1.54,;4,-.77,;5.34,-1.54,;5.33,-3.08,;4,-3.85,;2.67,-3.08,)|
Show InChI InChI=1S/C15H20N2O7/c1-8(19)17-10-4-2-9(3-5-10)6-16-24-15-14(22)13(21)12(20)11(7-18)23-15/h2-6,11-15,18,20-22H,7H2,1H3,(H,17,19)/b16-6+/t11?,12?,13-,14?,15-/m0/s1
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2.62E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50165692
PNG
(CHEMBL3797248)
Show SMILES COc1c(Cc2ccccc2)cc(cc1C(=O)N[C@@H]1CC[C@H](C)CC1)-c1ccccc1 |r,wD:18.19,21.23,(-3.74,.92,;-2.67,1.54,;-1.33,.77,;,1.54,;0,3.08,;1.34,3.85,;1.34,5.39,;2.68,6.15,;4.01,5.38,;4.01,3.84,;2.67,3.07,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-3.73,-.93,;-2.66,-3.08,;-4,-3.86,;-4,-5.4,;-5.33,-6.17,;-6.66,-5.4,;-7.73,-6.01,;-6.66,-3.86,;-5.33,-3.09,;2.67,-1.54,;4,-.77,;5.34,-1.54,;5.33,-3.08,;4,-3.85,;2.67,-3.08,)|
Show InChI InChI=1S/C13H17NO7/c15-6-9-10(17)11(18)12(19)13(20-9)21-14-5-7-2-1-3-8(16)4-7/h1-5,9-13,15-19H,6H2/b14-5+/t9?,10?,11-,12?,13-/m0/s1
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2.67E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50062494
PNG
(CHEMBL3397445)
Show SMILES COc1ccc(cc1)-c1cc(C)c(OC)c(c1)C(=O)NC1CCCCCC1
Show InChI InChI=1S/C23H29NO3/c1-16-14-18(17-10-12-20(26-2)13-11-17)15-21(22(16)27-3)23(25)24-19-8-6-4-5-7-9-19/h10-15,19H,4-9H2,1-3H3,(H,24,25)
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2.74E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50165677
PNG
(CHEMBL3798133)
Show SMILES COc1c(Cc2ccc(F)cc2)cc(cc1C(=O)NC1CCCCCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H19NO6/c19-9-13-14(20)15(21)16(22)17(23-13)24-18-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-8,13-17,19-22H,9H2/b18-8+/t13?,14?,15-,16?,17-/m0/s1
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2.83E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50165681
PNG
(CHEMBL3797270)
Show SMILES COc1c(Cc2ccc(F)cc2)cc(cc1C(=O)N[C@H]1CC[C@H](C)CC1)-c1ccccc1 |r,wU:22.24,wD:19.20,(-3.74,.92,;-2.67,1.54,;-1.33,.77,;,1.54,;0,3.08,;1.34,3.85,;1.34,5.39,;2.68,6.15,;4.01,5.38,;5.08,5.99,;4.01,3.84,;2.67,3.07,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-3.73,-.93,;-2.66,-3.08,;-4,-3.86,;-5.33,-3.09,;-6.66,-3.86,;-6.66,-5.4,;-7.73,-6.01,;-5.33,-6.17,;-4,-5.4,;2.67,-1.54,;4,-.77,;5.34,-1.54,;5.33,-3.08,;4,-3.85,;2.67,-3.08,)|
Show InChI InChI=1S/C15H20N2O7/c1-8(19)17-10-4-2-9(3-5-10)6-16-24-15-14(22)13(21)12(20)11(7-18)23-15/h2-6,11-15,18,20-22H,7H2,1H3,(H,17,19)/b16-6+/t11?,12?,13-,14?,15-/m0/s1
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3.09E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50165686
PNG
(CHEMBL3800638)
Show SMILES CCCCc1cc(cc(C(=O)N[C@H]2CC[C@H](C)CC2)c1OC)-c1ccccc1 |r,wU:15.15,wD:12.11,(2.41,6,;1.34,5.39,;1.34,3.85,;0,3.08,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-3.73,-.93,;-2.66,-3.08,;-4,-3.86,;-5.33,-3.09,;-6.66,-3.86,;-6.66,-5.4,;-7.73,-6.01,;-5.33,-6.17,;-4,-5.4,;-1.33,.77,;-2.67,1.54,;-3.74,.92,;2.67,-1.54,;4,-.77,;5.34,-1.54,;5.33,-3.08,;4,-3.85,;2.67,-3.08,)|
Show InChI InChI=1S/C15H18N2O6/c18-7-11-12(19)13(20)14(21)15(22-11)23-17-6-8-5-16-10-4-2-1-3-9(8)10/h1-6,11-16,18-21H,7H2/b17-6+/t11?,12?,13-,14?,15-/m0/s1
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3.61E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50165673
PNG
(CHEMBL3798474)
Show SMILES COc1c(Cc2ccccc2)cc(cc1C(=O)N[C@H]1CC[C@H](C)CC1)-c1ccccc1 |r,wU:21.23,wD:18.19,(-3.74,.92,;-2.67,1.54,;-1.33,.77,;,1.54,;0,3.08,;1.34,3.85,;1.34,5.39,;2.68,6.15,;4.01,5.38,;4.01,3.84,;2.67,3.07,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-3.73,-.93,;-2.66,-3.08,;-4,-3.86,;-5.33,-3.09,;-6.66,-3.86,;-6.66,-5.4,;-7.73,-6.01,;-5.33,-6.17,;-4,-5.4,;2.67,-1.54,;4,-.77,;5.34,-1.54,;5.33,-3.08,;4,-3.85,;2.67,-3.08,)|
Show InChI InChI=1S/C6H13NO6/c7-13-6-5(11)4(10)3(9)2(1-8)12-6/h2-6,8-11H,1,7H2/t2?,3?,4-,5?,6-/m0/s1
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4.81E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50165684
PNG
(CHEMBL3799151)
Show SMILES CCCCc1cc(cc(C(=O)NC2CCCCCC2)c1OC)-c1ccc(F)cc1
Show InChI InChI=1S/C13H15N3O10/c17-5-9-10(18)11(19)12(20)13(25-9)26-14-4-6-1-2-7(15(21)22)3-8(6)16(23)24/h1-4,9-13,17-20H,5H2
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6.11E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50165689
PNG
(CHEMBL3798112)
Show SMILES CCCCCCCCCCCC(=O)Nc1cc(CC=C)cc(c1O)-c1ccc(OC)c(CC=C)c1
Show InChI InChI=1S/C16H18N2O6/c19-8-12-13(20)14(21)15(22)16(23-12)24-18-7-9-5-6-17-11-4-2-1-3-10(9)11/h1-7,12-16,19-22H,8H2/b18-7+/t12?,13?,14-,15?,16-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50165688
PNG
(CHEMBL3798273)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)Nc1cc(CC=C)cc(c1O)-c1ccc(OC)c(CC=C)c1
Show InChI InChI=1S/C13H16N2O8/c16-6-9-10(17)11(18)12(19)13(22-9)23-14-5-7-3-1-2-4-8(7)15(20)21/h1-5,9-13,16-19H,6H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50350149
PNG
(CHEMBL1814312)
Show SMILES COc1ccc(cc1CC=C)-c1cc(CC=C)cc(NC(C)=O)c1O
Show InChI InChI=1S/C21H23NO3/c1-5-7-15-11-18(21(24)19(12-15)22-14(3)23)16-9-10-20(25-4)17(13-16)8-6-2/h5-6,9-13,24H,1-2,7-8H2,3-4H3,(H,22,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50062494
PNG
(CHEMBL3397445)
Show SMILES COc1ccc(cc1)-c1cc(C)c(OC)c(c1)C(=O)NC1CCCCCC1
Show InChI InChI=1S/C23H29NO3/c1-16-14-18(17-10-12-20(26-2)13-11-17)15-21(22(16)27-3)23(25)24-19-8-6-4-5-7-9-19/h10-15,19H,4-9H2,1-3H3,(H,24,25)
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1.65E+4n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%