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Compile Data Set for Download or QSAR

Found 61 hits Enz. Inhib. hit(s) with all data for entry = 50031074   
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))
BDBM50306528
PNG
((6aR,10aR)-6,6,9-trimethyl-3-(2-methyloctan-2-yl)-...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:15|
Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h14-16,19-20,26H,7-13H2,1-6H3/t19-,20-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306528
PNG
((6aR,10aR)-6,6,9-trimethyl-3-(2-methyloctan-2-yl)-...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:15|
Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h14-16,19-20,26H,7-13H2,1-6H3/t19-,20-/m1/s1
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0.240n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50306530
PNG
((6aR,10aR)-6,6,9-trimethyl-3-(2-methyloctan-2-yl)-...)
Show SMILES CCCCCCC(C)(C)c1cc(N)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:15|
Show InChI InChI=1S/C25H39NO/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h14-16,19-20H,7-13,26H2,1-6H3/t19-,20-/m1/s1
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2.90n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50306529
PNG
((6aR,10aR)-6,6,9-trimethyl-3-(2-methyloctan-2-yl)-...)
Show SMILES CCCCCCC(C)(C)c1cc2OC(C)(C)[C@@H]3CCC(C)=C[C@H]3c2c(c1)C#N |r,c:20|
Show InChI InChI=1S/C26H37NO/c1-7-8-9-10-13-25(3,4)20-15-19(17-27)24-21-14-18(2)11-12-22(21)26(5,6)28-23(24)16-20/h14-16,21-22H,7-13H2,1-6H3/t21-,22-/m1/s1
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5.30n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306530
PNG
((6aR,10aR)-6,6,9-trimethyl-3-(2-methyloctan-2-yl)-...)
Show SMILES CCCCCCC(C)(C)c1cc(N)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:15|
Show InChI InChI=1S/C25H39NO/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h14-16,19-20H,7-13,26H2,1-6H3/t19-,20-/m1/s1
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11.7n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM60994
PNG
((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11|
Show InChI InChI=1/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/s2
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36n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM60994
PNG
((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11|
Show InChI InChI=1/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/s2
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40n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306529
PNG
((6aR,10aR)-6,6,9-trimethyl-3-(2-methyloctan-2-yl)-...)
Show SMILES CCCCCCC(C)(C)c1cc2OC(C)(C)[C@@H]3CCC(C)=C[C@H]3c2c(c1)C#N |r,c:20|
Show InChI InChI=1S/C26H37NO/c1-7-8-9-10-13-25(3,4)20-15-19(17-27)24-21-14-18(2)11-12-22(21)26(5,6)28-23(24)16-20/h14-16,21-22H,7-13H2,1-6H3/t21-,22-/m1/s1
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67.8n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50306542
PNG
((6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tet...)
Show SMILES CCCCCc1cc(N)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11|
Show InChI InChI=1S/C21H31NO/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17H,5-10,22H2,1-4H3/t16-,17-/m1/s1
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215n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50306531
PNG
(CHEMBL600195 | N-((6aR,10aR)-6,6,9-trimethyl-3-(2-...)
Show SMILES CCCCCCC(C)(C)c1cc(NC(C)=O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:18|
Show InChI InChI=1S/C27H41NO2/c1-8-9-10-11-14-26(4,5)20-16-23(28-19(3)29)25-21-15-18(2)12-13-22(21)27(6,7)30-24(25)17-20/h15-17,21-22H,8-14H2,1-7H3,(H,28,29)/t21-,22-/m1/s1
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216n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50306534
PNG
(CHEMBL601865 | N-((6aR,10aR)-6,6,9-trimethyl-3-(2-...)
Show SMILES CCCCCCC(C)(C)c1cc(NS(C)(=O)=O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:19|
Show InChI InChI=1S/C26H41NO3S/c1-8-9-10-11-14-25(3,4)19-16-22(27-31(7,28)29)24-20-15-18(2)12-13-21(20)26(5,6)30-23(24)17-19/h15-17,20-21,27H,8-14H2,1-7H3/t20-,21-/m1/s1
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255n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50306532
PNG
(1-methyl-3-(6aR,10aR)-6,6,9-trimethyl-3-(2-methylo...)
Show SMILES CCCCCCC(C)(C)c1cc(NC(=O)NC)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:19|
Show InChI InChI=1S/C27H42N2O2/c1-8-9-10-11-14-26(3,4)19-16-22(29-25(30)28-7)24-20-15-18(2)12-13-21(20)27(5,6)31-23(24)17-19/h15-17,20-21H,8-14H2,1-7H3,(H2,28,29,30)/t20-,21-/m1/s1
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257n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306532
PNG
(1-methyl-3-(6aR,10aR)-6,6,9-trimethyl-3-(2-methylo...)
Show SMILES CCCCCCC(C)(C)c1cc(NC(=O)NC)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:19|
Show InChI InChI=1S/C27H42N2O2/c1-8-9-10-11-14-26(3,4)19-16-22(29-25(30)28-7)24-20-15-18(2)12-13-21(20)27(5,6)31-23(24)17-19/h15-17,20-21H,8-14H2,1-7H3,(H2,28,29,30)/t20-,21-/m1/s1
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333n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50306543
PNG
((6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tet...)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(C)=C[C@H]3c2c(c1)C#N |r,c:16|
Show InChI InChI=1S/C22H29NO/c1-5-6-7-8-16-12-17(14-23)21-18-11-15(2)9-10-19(18)22(3,4)24-20(21)13-16/h11-13,18-19H,5-10H2,1-4H3/t18-,19-/m1/s1
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387n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50306526
PNG
((6aR,10aR)-6,6,9-trimethyl-1-(methylthio)-3-pentyl...)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(C)=C[C@H]3c2c(SC)c1 |r,c:16|
Show InChI InChI=1S/C22H32OS/c1-6-7-8-9-16-13-19-21(20(14-16)24-5)17-12-15(2)10-11-18(17)22(3,4)23-19/h12-14,17-18H,6-11H2,1-5H3/t17-,18-/m1/s1
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469n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306542
PNG
((6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tet...)
Show SMILES CCCCCc1cc(N)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11|
Show InChI InChI=1S/C21H31NO/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17H,5-10,22H2,1-4H3/t16-,17-/m1/s1
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616n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50306524
PNG
(1-(((6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a...)
Show SMILES CCCCCc1cc(CNC(N)=O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:15|
Show InChI InChI=1S/C23H34N2O2/c1-5-6-7-8-16-12-17(14-25-22(24)26)21-18-11-15(2)9-10-19(18)23(3,4)27-20(21)13-16/h11-13,18-19H,5-10,14H2,1-4H3,(H3,24,25,26)/t18-,19-/m1/s1
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782n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306526
PNG
((6aR,10aR)-6,6,9-trimethyl-1-(methylthio)-3-pentyl...)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(C)=C[C@H]3c2c(SC)c1 |r,c:16|
Show InChI InChI=1S/C22H32OS/c1-6-7-8-9-16-13-19-21(20(14-16)24-5)17-12-15(2)10-11-18(17)22(3,4)23-19/h12-14,17-18H,6-11H2,1-5H3/t17-,18-/m1/s1
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955n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50306533
PNG
(CHEMBL600397 | N-((6aR,10aR)-6,6,9-trimethyl-3-(2-...)
Show SMILES CCCCCCC(C)(C)c1cc(NC(=O)c2ccncc2)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:24|
Show InChI InChI=1S/C31H42N2O2/c1-7-8-9-10-15-30(3,4)23-19-26(33-29(34)22-13-16-32-17-14-22)28-24-18-21(2)11-12-25(24)31(5,6)35-27(28)20-23/h13-14,16-20,24-25H,7-12,15H2,1-6H3,(H,33,34)/t24-,25-/m1/s1
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1.09E+3n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50306539
PNG
((6aR,10aR)-N,N,6,6,9-pentamethyl-3-pentyl-6a,7,8,1...)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(C)=C[C@H]3c2c(c1)C(=O)N(C)C |r,c:16|
Show InChI InChI=1S/C24H35NO2/c1-7-8-9-10-17-14-19(23(26)25(5)6)22-18-13-16(2)11-12-20(18)24(3,4)27-21(22)15-17/h13-15,18,20H,7-12H2,1-6H3/t18-,20-/m1/s1
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1.21E+3n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50306538
PNG
((6aR,10aR)-N,6,6,9-tetramethyl-3-pentyl-6a,7,8,10a...)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(C)=C[C@H]3c2c(c1)C(=O)NC |r,c:16|
Show InChI InChI=1S/C23H33NO2/c1-6-7-8-9-16-13-18(22(25)24-5)21-17-12-15(2)10-11-19(17)23(3,4)26-20(21)14-16/h12-14,17,19H,6-11H2,1-5H3,(H,24,25)/t17-,19-/m1/s1
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1.26E+3n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306531
PNG
(CHEMBL600195 | N-((6aR,10aR)-6,6,9-trimethyl-3-(2-...)
Show SMILES CCCCCCC(C)(C)c1cc(NC(C)=O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:18|
Show InChI InChI=1S/C27H41NO2/c1-8-9-10-11-14-26(4,5)20-16-23(28-19(3)29)25-21-15-18(2)12-13-22(21)27(6,7)30-24(25)17-20/h15-17,21-22H,8-14H2,1-7H3,(H,28,29)/t21-,22-/m1/s1
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1.34E+3n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50306544
PNG
(CHEMBL605128 | methyl(6aR,10aR)-6,6,9-trimethyl-3-...)
Show SMILES CCCCCc1cc(NC(=O)OC)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:15|
Show InChI InChI=1S/C23H33NO3/c1-6-7-8-9-16-13-19(24-22(25)26-5)21-17-12-15(2)10-11-18(17)23(3,4)27-20(21)14-16/h12-14,17-18H,6-11H2,1-5H3,(H,24,25)/t17-,18-/m1/s1
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1.40E+3n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50306535
PNG
(CHEMBL602857 | N-((6aR,10aR)-6,6,9-trimethyl-3-pen...)
Show SMILES CCCCCc1cc(NC(C)=O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:14|
Show InChI InChI=1S/C23H33NO2/c1-6-7-8-9-17-13-20(24-16(3)25)22-18-12-15(2)10-11-19(18)23(4,5)26-21(22)14-17/h12-14,18-19H,6-11H2,1-5H3,(H,24,25)/t18-,19-/m1/s1
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1.40E+3n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50306525
PNG
(CHEMBL604329 | N-(((6aR,10aR)-6,6,9-trimethyl-3-pe...)
Show SMILES CCCCCc1cc(CNC(C)=O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:15|
Show InChI InChI=1S/C24H35NO2/c1-6-7-8-9-18-13-19(15-25-17(3)26)23-20-12-16(2)10-11-21(20)24(4,5)27-22(23)14-18/h12-14,20-21H,6-11,15H2,1-5H3,(H,25,26)/t20-,21-/m1/s1
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1.50E+3n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306543
PNG
((6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tet...)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(C)=C[C@H]3c2c(c1)C#N |r,c:16|
Show InChI InChI=1S/C22H29NO/c1-5-6-7-8-16-12-17(14-23)21-18-11-15(2)9-10-19(18)22(3,4)24-20(21)13-16/h11-13,18-19H,5-10H2,1-4H3/t18-,19-/m1/s1
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1.72E+3n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50306545
PNG
(CHEMBL597908 | N-((6aR,10aR)-6,6,9-trimethyl-3-pen...)
Show SMILES CCCCCc1cc(NS(C)(=O)=O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:15|
Show InChI InChI=1S/C22H33NO3S/c1-6-7-8-9-16-13-19(23-27(5,24)25)21-17-12-15(2)10-11-18(17)22(3,4)26-20(21)14-16/h12-14,17-18,23H,6-11H2,1-5H3/t17-,18-/m1/s1
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1.72E+3n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50306520
PNG
(CHEMBL602049 | N-((6aR,10aR)-6,6,9-trimethyl-3-pen...)
Show SMILES CCCCCc1cc(NC(=O)c2ccncc2)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:20|
Show InChI InChI=1S/C27H34N2O2/c1-5-6-7-8-19-16-23(29-26(30)20-11-13-28-14-12-20)25-21-15-18(2)9-10-22(21)27(3,4)31-24(25)17-19/h11-17,21-22H,5-10H2,1-4H3,(H,29,30)/t21-,22-/m1/s1
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1.77E+3n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306534
PNG
(CHEMBL601865 | N-((6aR,10aR)-6,6,9-trimethyl-3-(2-...)
Show SMILES CCCCCCC(C)(C)c1cc(NS(C)(=O)=O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:19|
Show InChI InChI=1S/C26H41NO3S/c1-8-9-10-11-14-25(3,4)19-16-22(27-31(7,28)29)24-20-15-18(2)12-13-21(20)26(5,6)30-23(24)17-19/h15-17,20-21,27H,8-14H2,1-7H3/t20-,21-/m1/s1
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1.84E+3n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50306527
PNG
((6aR,10aR)-6,6,9-trimethyl-1-(methylsulfinyl)-3-pe...)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(C)=C[C@H]3c2c(c1)S(C)=O |r,c:16|
Show InChI InChI=1S/C22H32O2S/c1-6-7-8-9-16-13-19-21(20(14-16)25(5)23)17-12-15(2)10-11-18(17)22(3,4)24-19/h12-14,17-18H,6-11H2,1-5H3/t17-,18-,25?/m1/s1
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1.93E+3n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50306541
PNG
((6aR,10aR)-N-(1,3-dihydroxypropan-2-yl)-6,6,9-trim...)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(C)=C[C@H]3c2c(c1)C(=O)NC(CO)CO |r,c:16|
Show InChI InChI=1S/C25H37NO4/c1-5-6-7-8-17-12-20(24(29)26-18(14-27)15-28)23-19-11-16(2)9-10-21(19)25(3,4)30-22(23)13-17/h11-13,18-19,21,27-28H,5-10,14-15H2,1-4H3,(H,26,29)/t19-,21-/m1/s1
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2.00E+3n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50306547
PNG
(1-methyl-3-((6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a...)
Show SMILES CCCCCc1cc(NC(=O)NC)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:15|
Show InChI InChI=1S/C23H34N2O2/c1-6-7-8-9-16-13-19(25-22(26)24-5)21-17-12-15(2)10-11-18(17)23(3,4)27-20(21)14-16/h12-14,17-18H,6-11H2,1-5H3,(H2,24,25,26)/t17-,18-/m1/s1
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2.05E+3n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50306537
PNG
((6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tet...)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(C)=C[C@H]3c2c(c1)C(N)=O |r,c:16|
Show InChI InChI=1S/C22H31NO2/c1-5-6-7-8-15-12-17(21(23)24)20-16-11-14(2)9-10-18(16)22(3,4)25-19(20)13-15/h11-13,16,18H,5-10H2,1-4H3,(H2,23,24)/t16-,18-/m1/s1
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2.19E+3n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306521
PNG
((6aR,10aR)-N,N,6,6,9-pentamethyl-3-pentyl-6a,7,8,1...)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(C)=C[C@H]3c2c(c1)N(C)C |r,c:16|
Show InChI InChI=1S/C23H35NO/c1-7-8-9-10-17-14-20(24(5)6)22-18-13-16(2)11-12-19(18)23(3,4)25-21(22)15-17/h13-15,18-19H,7-12H2,1-6H3/t18-,19-/m1/s1
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>3.00E+3n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50306536
PNG
((6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tet...)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(C)=C[C@H]3c2c(c1)C(O)=O |r,c:16|
Show InChI InChI=1S/C22H30O3/c1-5-6-7-8-15-12-17(21(23)24)20-16-11-14(2)9-10-18(16)22(3,4)25-19(20)13-15/h11-13,16,18H,5-10H2,1-4H3,(H,23,24)/t16-,18-/m1/s1
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>3.00E+3n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306520
PNG
(CHEMBL602049 | N-((6aR,10aR)-6,6,9-trimethyl-3-pen...)
Show SMILES CCCCCc1cc(NC(=O)c2ccncc2)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:20|
Show InChI InChI=1S/C27H34N2O2/c1-5-6-7-8-19-16-23(29-26(30)20-11-13-28-14-12-20)25-21-15-18(2)9-10-22(21)27(3,4)31-24(25)17-19/h11-17,21-22H,5-10H2,1-4H3,(H,29,30)/t21-,22-/m1/s1
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>3.00E+3n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306519
PNG
(2-(dimethylamino)-N-((6aR,10aR)-6,6,9-trimethyl-3-...)
Show SMILES CCCCCc1cc(NC(=O)CN(C)C)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:17|
Show InChI InChI=1S/C25H38N2O2/c1-7-8-9-10-18-14-21(26-23(28)16-27(5)6)24-19-13-17(2)11-12-20(19)25(3,4)29-22(24)15-18/h13-15,19-20H,7-12,16H2,1-6H3,(H,26,28)/t19-,20-/m1/s1
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>3.00E+3n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50306540
PNG
((6aR,10aR)-N-(2-amino-2-oxoethyl)-6,6,9-trimethyl-...)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(C)=C[C@H]3c2c(c1)C(=O)NCC(N)=O |r,c:16|
Show InChI InChI=1S/C24H34N2O3/c1-5-6-7-8-16-12-18(23(28)26-14-21(25)27)22-17-11-15(2)9-10-19(17)24(3,4)29-20(22)13-16/h11-13,17,19H,5-10,14H2,1-4H3,(H2,25,27)(H,26,28)/t17-,19-/m1/s1
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>3.00E+3n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306535
PNG
(CHEMBL602857 | N-((6aR,10aR)-6,6,9-trimethyl-3-pen...)
Show SMILES CCCCCc1cc(NC(C)=O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:14|
Show InChI InChI=1S/C23H33NO2/c1-6-7-8-9-17-13-20(24-16(3)25)22-18-12-15(2)10-11-19(18)23(4,5)26-21(22)14-17/h12-14,18-19H,6-11H2,1-5H3,(H,24,25)/t18-,19-/m1/s1
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>3.00E+3n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50306527
PNG
((6aR,10aR)-6,6,9-trimethyl-1-(methylsulfinyl)-3-pe...)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(C)=C[C@H]3c2c(c1)S(C)=O |r,c:16|
Show InChI InChI=1S/C22H32O2S/c1-6-7-8-9-16-13-19-21(20(14-16)25(5)23)17-12-15(2)10-11-18(17)22(3,4)24-19/h12-14,17-18H,6-11H2,1-5H3/t17-,18-,25?/m1/s1
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>3.00E+3n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50306523
PNG
(CHEMBL600631 | N-(((6aR,10aR)-6,6,9-trimethyl-3-pe...)
Show SMILES CCCCCc1cc(CNS(C)(=O)=O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:16|
Show InChI InChI=1S/C23H35NO3S/c1-6-7-8-9-17-13-18(15-24-28(5,25)26)22-19-12-16(2)10-11-20(19)23(3,4)27-21(22)14-17/h12-14,19-20,24H,6-11,15H2,1-5H3/t19-,20-/m1/s1
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>3.00E+3n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50306546
PNG
(1-((6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-...)
Show SMILES CCCCCc1cc(NC(N)=O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:14|
Show InChI InChI=1S/C22H32N2O2/c1-5-6-7-8-15-12-18(24-21(23)25)20-16-11-14(2)9-10-17(16)22(3,4)26-19(20)13-15/h11-13,16-17H,5-10H2,1-4H3,(H3,23,24,25)/t16-,17-/m1/s1
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>3.00E+3n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50306522
PNG
(((6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-te...)
Show SMILES CCCCCc1cc(CN)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:12|
Show InChI InChI=1S/C22H33NO/c1-5-6-7-8-16-12-17(14-23)21-18-11-15(2)9-10-19(18)22(3,4)24-20(21)13-16/h11-13,18-19H,5-10,14,23H2,1-4H3/t18-,19-/m1/s1
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>3.00E+3n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50306521
PNG
((6aR,10aR)-N,N,6,6,9-pentamethyl-3-pentyl-6a,7,8,1...)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(C)=C[C@H]3c2c(c1)N(C)C |r,c:16|
Show InChI InChI=1S/C23H35NO/c1-7-8-9-10-17-14-20(24(5)6)22-18-13-16(2)11-12-19(18)23(3,4)25-21(22)15-17/h13-15,18-19H,7-12H2,1-6H3/t18-,19-/m1/s1
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>3.00E+3n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306536
PNG
((6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tet...)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(C)=C[C@H]3c2c(c1)C(O)=O |r,c:16|
Show InChI InChI=1S/C22H30O3/c1-5-6-7-8-15-12-17(21(23)24)20-16-11-14(2)9-10-18(16)22(3,4)25-19(20)13-15/h11-13,16,18H,5-10H2,1-4H3,(H,23,24)/t16-,18-/m1/s1
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>3.00E+3n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306537
PNG
((6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tet...)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(C)=C[C@H]3c2c(c1)C(N)=O |r,c:16|
Show InChI InChI=1S/C22H31NO2/c1-5-6-7-8-15-12-17(21(23)24)20-16-11-14(2)9-10-18(16)22(3,4)25-19(20)13-15/h11-13,16,18H,5-10H2,1-4H3,(H2,23,24)/t16-,18-/m1/s1
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>3.00E+3n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306538
PNG
((6aR,10aR)-N,6,6,9-tetramethyl-3-pentyl-6a,7,8,10a...)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(C)=C[C@H]3c2c(c1)C(=O)NC |r,c:16|
Show InChI InChI=1S/C23H33NO2/c1-6-7-8-9-16-13-18(22(25)24-5)21-17-12-15(2)10-11-19(17)23(3,4)26-20(21)14-16/h12-14,17,19H,6-11H2,1-5H3,(H,24,25)/t17-,19-/m1/s1
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>3.00E+3n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306539
PNG
((6aR,10aR)-N,N,6,6,9-pentamethyl-3-pentyl-6a,7,8,1...)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(C)=C[C@H]3c2c(c1)C(=O)N(C)C |r,c:16|
Show InChI InChI=1S/C24H35NO2/c1-7-8-9-10-17-14-19(23(26)25(5)6)22-18-13-16(2)11-12-20(18)24(3,4)27-21(22)15-17/h13-15,18,20H,7-12H2,1-6H3/t18-,20-/m1/s1
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>3.00E+3n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306540
PNG
((6aR,10aR)-N-(2-amino-2-oxoethyl)-6,6,9-trimethyl-...)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(C)=C[C@H]3c2c(c1)C(=O)NCC(N)=O |r,c:16|
Show InChI InChI=1S/C24H34N2O3/c1-5-6-7-8-16-12-18(23(28)26-14-21(25)27)22-17-11-15(2)9-10-19(17)24(3,4)29-20(22)13-16/h11-13,17,19H,5-10,14H2,1-4H3,(H2,25,27)(H,26,28)/t17-,19-/m1/s1
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>3.00E+3n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306541
PNG
((6aR,10aR)-N-(1,3-dihydroxypropan-2-yl)-6,6,9-trim...)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(C)=C[C@H]3c2c(c1)C(=O)NC(CO)CO |r,c:16|
Show InChI InChI=1S/C25H37NO4/c1-5-6-7-8-17-12-20(24(29)26-18(14-27)15-28)23-19-11-16(2)9-10-21(19)25(3,4)30-22(23)13-17/h11-13,18-19,21,27-28H,5-10,14-15H2,1-4H3,(H,26,29)/t19-,21-/m1/s1
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>3.00E+3n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
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