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Compile Data Set for Download or QSAR

Found 148 hits with Last Name = 'alapafuja' and Initial = 'so'   
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


(Rattus norvegicus (rat))
BDBM50328671
PNG
((6aR,9R,10aR)-3-(1-hexylcyclobutyl)-6,6-dimethyl-6...)
Show SMILES CCCCCCC1(CCC1)c1cc(O)c2[C@@H]3C[C@H](O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O3/c1-4-5-6-7-11-25(12-8-13-25)17-14-21(27)23-19-16-18(26)9-10-20(19)24(2,3)28-22(23)15-17/h14-15,18-20,26-27H,4-13,16H2,1-3H3/t18-,19-,20-/m1/s1
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0.160n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from rat brain CB1 receptor


J Med Chem 53: 6996-7010 (2010)


Article DOI: 10.1021/jm100641g
BindingDB Entry DOI: 10.7270/Q2BP030V
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50219076
PNG
((6aR-trans)-3-(1-heptylcyclopropyl)-6a,7,10,10a-te...)
Show SMILES CCCCCCCC1(CC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H38O2/c1-5-6-7-8-9-12-26(13-14-26)19-16-22(27)24-20-15-18(2)10-11-21(20)25(3,4)28-23(24)17-19/h10,16-17,20-21,27H,5-9,11-15H2,1-4H3/t20-,21-/m1/s1
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0.480n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in rat brain synaptosomal membrane


J Med Chem 50: 4048-60 (2007)


Article DOI: 10.1021/jm070121a
BindingDB Entry DOI: 10.7270/Q21N80VQ
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50219078
PNG
((6aR-trans)-3-[1-[(1Z)-1-hexenyl]cyclopentyl]-6a,7...)
Show SMILES CCCC\C=C/C1(CCCC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C27H38O2/c1-5-6-7-8-13-27(14-9-10-15-27)20-17-23(28)25-21-16-19(2)11-12-22(21)26(3,4)29-24(25)18-20/h8,11,13,17-18,21-22,28H,5-7,9-10,12,14-16H2,1-4H3/b13-8-/t21-,22-/m1/s1
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0.720n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in rat brain synaptosomal membrane


J Med Chem 50: 4048-60 (2007)


Article DOI: 10.1021/jm070121a
BindingDB Entry DOI: 10.7270/Q21N80VQ
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50328664
PNG
((6aR,10aR)-3-(1-Hexyl-cyclobut-1-yl)-6,6a,7,8,10,1...)
Show SMILES CCCCCCC1(CCC1)c1cc(O)c2[C@@H]3CC(=O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H36O3/c1-4-5-6-7-11-25(12-8-13-25)17-14-21(27)23-19-16-18(26)9-10-20(19)24(2,3)28-22(23)15-17/h14-15,19-20,27H,4-13,16H2,1-3H3/t19-,20-/m1/s1
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0.840n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from rat brain CB1 receptor


J Med Chem 53: 6996-7010 (2010)


Article DOI: 10.1021/jm100641g
BindingDB Entry DOI: 10.7270/Q2BP030V
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50219072
PNG
((6aR-trans)-3-[1-[(1Z)-1-hexenyl]cyclobutyl]-6a,7,...)
Show SMILES CCCC\C=C/C1(CCC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H36O2/c1-5-6-7-8-12-26(13-9-14-26)19-16-22(27)24-20-15-18(2)10-11-21(20)25(3,4)28-23(24)17-19/h8,10,12,16-17,20-21,27H,5-7,9,11,13-15H2,1-4H3/b12-8-/t20-,21-/m1/s1
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0.930n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in rat brain synaptosomal membrane


J Med Chem 50: 4048-60 (2007)


Article DOI: 10.1021/jm070121a
BindingDB Entry DOI: 10.7270/Q21N80VQ
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)
BDBM50328661
PNG
((6aR,10aR)-3-(1-Hexyl-cyclopent-1-yl)-6,6a,7,8,10,...)
Show SMILES CCCCCCC1(CCCC1)c1cc(O)c2[C@@H]3CC(=O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H38O3/c1-4-5-6-7-12-26(13-8-9-14-26)18-15-22(28)24-20-17-19(27)10-11-21(20)25(2,3)29-23(24)16-18/h15-16,20-21,28H,4-14,17H2,1-3H3/t20-,21-/m1/s1
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0.970n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from mouse spleen CB2 receptor


J Med Chem 53: 6996-7010 (2010)


Article DOI: 10.1021/jm100641g
BindingDB Entry DOI: 10.7270/Q2BP030V
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM173891
PNG
(US9102622, 74.1)
Show SMILES OCc1nnc(o1)C(=O)CCOc1ccccc1
Show InChI InChI=1S/C12H12N2O4/c15-8-11-13-14-12(18-11)10(16)6-7-17-9-4-2-1-3-5-9/h1-5,15H,6-8H2
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1n/a 15n/an/an/an/an/an/a



University of Connecticut

US Patent


Assay Description
All compound solutions are made to a concentration of 10 mM in DMSO. To test the stability of the compounds in enzyme assay conditions, 25 nmoles of ...


US Patent US9102622 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7G20
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50328666
PNG
((6aR,10aR)-3-[1-(5-Bromopentyl)cyclopentyl]-6,6a,7...)
Show SMILES CC1(C)Oc2cc(cc(O)c2[C@@H]2CC(=O)CC[C@@H]12)C1(CCCCCBr)CCCC1
Show InChI InChI=1S/C25H35BrO3/c1-24(2)20-9-8-18(27)16-19(20)23-21(28)14-17(15-22(23)29-24)25(11-5-6-12-25)10-4-3-7-13-26/h14-15,19-20,28H,3-13,16H2,1-2H3/t19-,20-/m1/s1
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1.03n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from rat brain CB1 receptor


J Med Chem 53: 6996-7010 (2010)


Article DOI: 10.1021/jm100641g
BindingDB Entry DOI: 10.7270/Q2BP030V
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50328663
PNG
((6aR,10aR)-3-[1-(1,2-cis-Hexen-1-yl)-cyclobut-1-yl...)
Show SMILES CCCC\C=C/C1(CCC1)c1cc(O)c2[C@@H]3CC(=O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H34O3/c1-4-5-6-7-11-25(12-8-13-25)17-14-21(27)23-19-16-18(26)9-10-20(19)24(2,3)28-22(23)15-17/h7,11,14-15,19-20,27H,4-6,8-10,12-13,16H2,1-3H3/b11-7-/t19-,20-/m1/s1
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1.13n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from rat brain CB1 receptor


J Med Chem 53: 6996-7010 (2010)


Article DOI: 10.1021/jm100641g
BindingDB Entry DOI: 10.7270/Q2BP030V
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)
BDBM50219072
PNG
((6aR-trans)-3-[1-[(1Z)-1-hexenyl]cyclobutyl]-6a,7,...)
Show SMILES CCCC\C=C/C1(CCC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H36O2/c1-5-6-7-8-12-26(13-9-14-26)19-16-22(27)24-20-15-18(2)10-11-21(20)25(3,4)28-23(24)17-19/h8,10,12,16-17,20-21,27H,5-7,9,11,13-15H2,1-4H3/b12-8-/t20-,21-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in mouse spleen membrane


J Med Chem 50: 4048-60 (2007)


Article DOI: 10.1021/jm070121a
BindingDB Entry DOI: 10.7270/Q21N80VQ
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50328660
PNG
((6aR,10aR)-3-[1-(1,2-cis-Hexen-1-yl)-cyclopent-1-y...)
Show SMILES CCCC\C=C/C1(CCCC1)c1cc(O)c2[C@@H]3CC(=O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H36O3/c1-4-5-6-7-12-26(13-8-9-14-26)18-15-22(28)24-20-17-19(27)10-11-21(20)25(2,3)29-23(24)16-18/h7,12,15-16,20-21,28H,4-6,8-11,13-14,17H2,1-3H3/b12-7-/t20-,21-/m1/s1
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1.23n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from rat brain CB1 receptor


J Med Chem 53: 6996-7010 (2010)


Article DOI: 10.1021/jm100641g
BindingDB Entry DOI: 10.7270/Q2BP030V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50328666
PNG
((6aR,10aR)-3-[1-(5-Bromopentyl)cyclopentyl]-6,6a,7...)
Show SMILES CC1(C)Oc2cc(cc(O)c2[C@@H]2CC(=O)CC[C@@H]12)C1(CCCCCBr)CCCC1
Show InChI InChI=1S/C25H35BrO3/c1-24(2)20-9-8-18(27)16-19(20)23-21(28)14-17(15-22(23)29-24)25(11-5-6-12-25)10-4-3-7-13-26/h14-15,19-20,28H,3-13,16H2,1-2H3/t19-,20-/m1/s1
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1.32n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 cells


J Med Chem 53: 6996-7010 (2010)


Article DOI: 10.1021/jm100641g
BindingDB Entry DOI: 10.7270/Q2BP030V
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50328672
PNG
((6aR,9R,10aR)-3-[1-(5-Bromopentyl)cyclobutyl]-6a,7...)
Show SMILES CC1(C)Oc2cc(cc(O)c2[C@@H]2C[C@H](O)CC[C@@H]12)C1(CCCCCBr)CCC1
Show InChI InChI=1S/C24H35BrO3/c1-23(2)19-8-7-17(26)15-18(19)22-20(27)13-16(14-21(22)28-23)24(10-6-11-24)9-4-3-5-12-25/h13-14,17-19,26-27H,3-12,15H2,1-2H3/t17-,18-,19-/m1/s1
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1.37n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from rat brain CB1 receptor


J Med Chem 53: 6996-7010 (2010)


Article DOI: 10.1021/jm100641g
BindingDB Entry DOI: 10.7270/Q2BP030V
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50219074
PNG
((6aR-trans)-3-(1-hexylcyclobutyl)-6a,7,10,10a-tetr...)
Show SMILES CCCCCCC1(CCC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H38O2/c1-5-6-7-8-12-26(13-9-14-26)19-16-22(27)24-20-15-18(2)10-11-21(20)25(3,4)28-23(24)17-19/h10,16-17,20-21,27H,5-9,11-15H2,1-4H3/t20-,21-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in rat brain synaptosomal membrane


J Med Chem 50: 4048-60 (2007)


Article DOI: 10.1021/jm070121a
BindingDB Entry DOI: 10.7270/Q21N80VQ
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50219073
PNG
((6aR-trans)-3-[1-[(1Z)-1-hexenyl]cyclopropyl]-6a,7...)
Show SMILES CCCC\C=C/C1(CC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H34O2/c1-5-6-7-8-11-25(12-13-25)18-15-21(26)23-19-14-17(2)9-10-20(19)24(3,4)27-22(23)16-18/h8-9,11,15-16,19-20,26H,5-7,10,12-14H2,1-4H3/b11-8-/t19-,20-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in rat brain synaptosomal membrane


J Med Chem 50: 4048-60 (2007)


Article DOI: 10.1021/jm070121a
BindingDB Entry DOI: 10.7270/Q21N80VQ
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50328673
PNG
((6aR,9S,10aR)-3-[1-(5-Bromopentyl)cyclobutyl]-6a,7...)
Show SMILES CC1(C)Oc2cc(cc(O)c2[C@@H]2C[C@@H](O)CC[C@@H]12)C1(CCCCCBr)CCC1
Show InChI InChI=1S/C24H35BrO3/c1-23(2)19-8-7-17(26)15-18(19)22-20(27)13-16(14-21(22)28-23)24(10-6-11-24)9-4-3-5-12-25/h13-14,17-19,26-27H,3-12,15H2,1-2H3/t17-,18+,19+/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from rat brain CB1 receptor


J Med Chem 53: 6996-7010 (2010)


Article DOI: 10.1021/jm100641g
BindingDB Entry DOI: 10.7270/Q2BP030V
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)
BDBM50328667
PNG
((6aR,10aR)-3-[1-(6-Bromohexyl)cyclopentyl]-6,6a,7,...)
Show SMILES CC1(C)Oc2cc(cc(O)c2[C@@H]2CC(=O)CC[C@@H]12)C1(CCCCCCBr)CCCC1
Show InChI InChI=1S/C26H37BrO3/c1-25(2)21-10-9-19(28)17-20(21)24-22(29)15-18(16-23(24)30-25)26(12-6-7-13-26)11-5-3-4-8-14-27/h15-16,20-21,29H,3-14,17H2,1-2H3/t20-,21-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from mouse spleen CB2 receptor


J Med Chem 53: 6996-7010 (2010)


Article DOI: 10.1021/jm100641g
BindingDB Entry DOI: 10.7270/Q2BP030V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50328672
PNG
((6aR,9R,10aR)-3-[1-(5-Bromopentyl)cyclobutyl]-6a,7...)
Show SMILES CC1(C)Oc2cc(cc(O)c2[C@@H]2C[C@H](O)CC[C@@H]12)C1(CCCCCBr)CCC1
Show InChI InChI=1S/C24H35BrO3/c1-23(2)19-8-7-17(26)15-18(19)22-20(27)13-16(14-21(22)28-23)24(10-6-11-24)9-4-3-5-12-25/h13-14,17-19,26-27H,3-12,15H2,1-2H3/t17-,18-,19-/m1/s1
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1.62n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 cells


J Med Chem 53: 6996-7010 (2010)


Article DOI: 10.1021/jm100641g
BindingDB Entry DOI: 10.7270/Q2BP030V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50328673
PNG
((6aR,9S,10aR)-3-[1-(5-Bromopentyl)cyclobutyl]-6a,7...)
Show SMILES CC1(C)Oc2cc(cc(O)c2[C@@H]2C[C@@H](O)CC[C@@H]12)C1(CCCCCBr)CCC1
Show InChI InChI=1S/C24H35BrO3/c1-23(2)19-8-7-17(26)15-18(19)22-20(27)13-16(14-21(22)28-23)24(10-6-11-24)9-4-3-5-12-25/h13-14,17-19,26-27H,3-12,15H2,1-2H3/t17-,18+,19+/m0/s1
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PubMed
1.63n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 cells


J Med Chem 53: 6996-7010 (2010)


Article DOI: 10.1021/jm100641g
BindingDB Entry DOI: 10.7270/Q2BP030V
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)
BDBM50328673
PNG
((6aR,9S,10aR)-3-[1-(5-Bromopentyl)cyclobutyl]-6a,7...)
Show SMILES CC1(C)Oc2cc(cc(O)c2[C@@H]2C[C@@H](O)CC[C@@H]12)C1(CCCCCBr)CCC1
Show InChI InChI=1S/C24H35BrO3/c1-23(2)19-8-7-17(26)15-18(19)22-20(27)13-16(14-21(22)28-23)24(10-6-11-24)9-4-3-5-12-25/h13-14,17-19,26-27H,3-12,15H2,1-2H3/t17-,18+,19+/m0/s1
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1.67n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from mouse spleen CB2 receptor


J Med Chem 53: 6996-7010 (2010)


Article DOI: 10.1021/jm100641g
BindingDB Entry DOI: 10.7270/Q2BP030V
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)
BDBM50219073
PNG
((6aR-trans)-3-[1-[(1Z)-1-hexenyl]cyclopropyl]-6a,7...)
Show SMILES CCCC\C=C/C1(CC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H34O2/c1-5-6-7-8-11-25(12-13-25)18-15-21(26)23-19-14-17(2)9-10-20(19)24(3,4)27-22(23)16-18/h8-9,11,15-16,19-20,26H,5-7,10,12-14H2,1-4H3/b11-8-/t19-,20-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in mouse spleen membrane


J Med Chem 50: 4048-60 (2007)


Article DOI: 10.1021/jm070121a
BindingDB Entry DOI: 10.7270/Q21N80VQ
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50328661
PNG
((6aR,10aR)-3-(1-Hexyl-cyclopent-1-yl)-6,6a,7,8,10,...)
Show SMILES CCCCCCC1(CCCC1)c1cc(O)c2[C@@H]3CC(=O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H38O3/c1-4-5-6-7-12-26(13-8-9-14-26)18-15-22(28)24-20-17-19(27)10-11-21(20)25(2,3)29-23(24)16-18/h15-16,20-21,28H,4-14,17H2,1-3H3/t20-,21-/m1/s1
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1.76n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from rat brain CB1 receptor


J Med Chem 53: 6996-7010 (2010)


Article DOI: 10.1021/jm100641g
BindingDB Entry DOI: 10.7270/Q2BP030V
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)
BDBM50219078
PNG
((6aR-trans)-3-[1-[(1Z)-1-hexenyl]cyclopentyl]-6a,7...)
Show SMILES CCCC\C=C/C1(CCCC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C27H38O2/c1-5-6-7-8-13-27(14-9-10-15-27)20-17-23(28)25-21-16-19(2)11-12-22(21)26(3,4)29-24(25)18-20/h8,11,13,17-18,21-22,28H,5-7,9-10,12,14-16H2,1-4H3/b13-8-/t21-,22-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in mouse spleen membrane


J Med Chem 50: 4048-60 (2007)


Article DOI: 10.1021/jm070121a
BindingDB Entry DOI: 10.7270/Q21N80VQ
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)
BDBM50287941
PNG
((6aR,10aR)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(=O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H36O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,18-19,26H,6-12,15H2,1-5H3/t18-,19-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from mouse spleen CB2 receptor


J Med Chem 53: 6996-7010 (2010)


Article DOI: 10.1021/jm100641g
BindingDB Entry DOI: 10.7270/Q2BP030V
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM173890
PNG
(US9102622, 73.2)
Show SMILES O=C(CCOc1ccc(OCc2ccccc2)cc1)c1nnc(COCc2ccccc2)o1
Show InChI InChI=1S/C26H24N2O5/c29-24(26-28-27-25(33-26)19-30-17-20-7-3-1-4-8-20)15-16-31-22-11-13-23(14-12-22)32-18-21-9-5-2-6-10-21/h1-14H,15-19H2
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2n/a 21n/an/an/an/an/an/a



University of Connecticut

US Patent


Assay Description
All compound solutions are made to a concentration of 10 mM in DMSO. To test the stability of the compounds in enzyme assay conditions, 25 nmoles of ...


US Patent US9102622 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7G20
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM173889
PNG
(US9102622, 73.1)
Show SMILES O=C(CCOc1ccccc1)c1nnc(COCc2ccccc2)o1
Show InChI InChI=1S/C19H18N2O4/c22-17(11-12-24-16-9-5-2-6-10-16)19-21-20-18(25-19)14-23-13-15-7-3-1-4-8-15/h1-10H,11-14H2
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2n/a 25n/an/an/an/an/an/a



University of Connecticut

US Patent


Assay Description
All compound solutions are made to a concentration of 10 mM in DMSO. To test the stability of the compounds in enzyme assay conditions, 25 nmoles of ...


US Patent US9102622 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7G20
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50287941
PNG
((6aR,10aR)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(=O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H36O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,18-19,26H,6-12,15H2,1-5H3/t18-,19-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from rat brain CB1 receptor


J Med Chem 53: 6996-7010 (2010)


Article DOI: 10.1021/jm100641g
BindingDB Entry DOI: 10.7270/Q2BP030V
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50328669
PNG
((6aR,10aR)-3-[1-(5-Bromopentyl)cyclobutyl]-6,6a,7,...)
Show SMILES CC1(C)Oc2cc(cc(O)c2[C@@H]2CC(=O)CC[C@@H]12)C1(CCCCCBr)CCC1
Show InChI InChI=1S/C24H33BrO3/c1-23(2)19-8-7-17(26)15-18(19)22-20(27)13-16(14-21(22)28-23)24(10-6-11-24)9-4-3-5-12-25/h13-14,18-19,27H,3-12,15H2,1-2H3/t18-,19-/m1/s1
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2.33n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from rat brain CB1 receptor


J Med Chem 53: 6996-7010 (2010)


Article DOI: 10.1021/jm100641g
BindingDB Entry DOI: 10.7270/Q2BP030V
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)
BDBM50328666
PNG
((6aR,10aR)-3-[1-(5-Bromopentyl)cyclopentyl]-6,6a,7...)
Show SMILES CC1(C)Oc2cc(cc(O)c2[C@@H]2CC(=O)CC[C@@H]12)C1(CCCCCBr)CCCC1
Show InChI InChI=1S/C25H35BrO3/c1-24(2)20-9-8-18(27)16-19(20)23-21(28)14-17(15-22(23)29-24)25(11-5-6-12-25)10-4-3-7-13-26/h14-15,19-20,28H,3-13,16H2,1-2H3/t19-,20-/m1/s1
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2.59n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from mouse spleen CB2 receptor


J Med Chem 53: 6996-7010 (2010)


Article DOI: 10.1021/jm100641g
BindingDB Entry DOI: 10.7270/Q2BP030V
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50219071
PNG
((6aR-trans)-3-(1-heptylcyclobutyl)-6a,7,10,10a-tet...)
Show SMILES CCCCCCCC1(CCC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C27H40O2/c1-5-6-7-8-9-13-27(14-10-15-27)20-17-23(28)25-21-16-19(2)11-12-22(21)26(3,4)29-24(25)18-20/h11,17-18,21-22,28H,5-10,12-16H2,1-4H3/t21-,22-/m1/s1
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2.70n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in rat brain synaptosomal membrane


J Med Chem 50: 4048-60 (2007)


Article DOI: 10.1021/jm070121a
BindingDB Entry DOI: 10.7270/Q21N80VQ
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)
BDBM50328672
PNG
((6aR,9R,10aR)-3-[1-(5-Bromopentyl)cyclobutyl]-6a,7...)
Show SMILES CC1(C)Oc2cc(cc(O)c2[C@@H]2C[C@H](O)CC[C@@H]12)C1(CCCCCBr)CCC1
Show InChI InChI=1S/C24H35BrO3/c1-23(2)19-8-7-17(26)15-18(19)22-20(27)13-16(14-21(22)28-23)24(10-6-11-24)9-4-3-5-12-25/h13-14,17-19,26-27H,3-12,15H2,1-2H3/t17-,18-,19-/m1/s1
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2.76n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from mouse spleen CB2 receptor


J Med Chem 53: 6996-7010 (2010)


Article DOI: 10.1021/jm100641g
BindingDB Entry DOI: 10.7270/Q2BP030V
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)
BDBM50328668
PNG
((6aR,10aR)-3-[1-(4-Cyanobutyl)cyclopentyl]-6,6a,7,...)
Show SMILES CC1(C)Oc2cc(cc(O)c2[C@@H]2CC(=O)CC[C@@H]12)C1(CCCCC#N)CCCC1
Show InChI InChI=1S/C25H33NO3/c1-24(2)20-9-8-18(27)16-19(20)23-21(28)14-17(15-22(23)29-24)25(11-5-6-12-25)10-4-3-7-13-26/h14-15,19-20,28H,3-12,16H2,1-2H3/t19-,20-/m1/s1
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2.78n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from mouse spleen CB2 receptor


J Med Chem 53: 6996-7010 (2010)


Article DOI: 10.1021/jm100641g
BindingDB Entry DOI: 10.7270/Q2BP030V
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM173892
PNG
(US9102622, 74.2)
Show SMILES Oc1ccc(OCCC(=O)c2nnc(COCc3ccccc3)o2)cc1
Show InChI InChI=1S/C19H18N2O5/c22-15-6-8-16(9-7-15)25-11-10-17(23)19-21-20-18(26-19)13-24-12-14-4-2-1-3-5-14/h1-9,22H,10-13H2
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3n/a 39n/an/an/an/an/an/a



University of Connecticut

US Patent


Assay Description
All compound solutions are made to a concentration of 10 mM in DMSO. To test the stability of the compounds in enzyme assay conditions, 25 nmoles of ...


US Patent US9102622 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7G20
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50328667
PNG
((6aR,10aR)-3-[1-(6-Bromohexyl)cyclopentyl]-6,6a,7,...)
Show SMILES CC1(C)Oc2cc(cc(O)c2[C@@H]2CC(=O)CC[C@@H]12)C1(CCCCCCBr)CCCC1
Show InChI InChI=1S/C26H37BrO3/c1-25(2)21-10-9-19(28)17-20(21)24-22(29)15-18(16-23(24)30-25)26(12-6-7-13-26)11-5-3-4-8-14-27/h15-16,20-21,29H,3-14,17H2,1-2H3/t20-,21-/m1/s1
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3.02n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 cells


J Med Chem 53: 6996-7010 (2010)


Article DOI: 10.1021/jm100641g
BindingDB Entry DOI: 10.7270/Q2BP030V
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50328668
PNG
((6aR,10aR)-3-[1-(4-Cyanobutyl)cyclopentyl]-6,6a,7,...)
Show SMILES CC1(C)Oc2cc(cc(O)c2[C@@H]2CC(=O)CC[C@@H]12)C1(CCCCC#N)CCCC1
Show InChI InChI=1S/C25H33NO3/c1-24(2)20-9-8-18(27)16-19(20)23-21(28)14-17(15-22(23)29-24)25(11-5-6-12-25)10-4-3-7-13-26/h14-15,19-20,28H,3-12,16H2,1-2H3/t19-,20-/m1/s1
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3.14n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from rat brain CB1 receptor


J Med Chem 53: 6996-7010 (2010)


Article DOI: 10.1021/jm100641g
BindingDB Entry DOI: 10.7270/Q2BP030V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50328661
PNG
((6aR,10aR)-3-(1-Hexyl-cyclopent-1-yl)-6,6a,7,8,10,...)
Show SMILES CCCCCCC1(CCCC1)c1cc(O)c2[C@@H]3CC(=O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H38O3/c1-4-5-6-7-12-26(13-8-9-14-26)18-15-22(28)24-20-17-19(27)10-11-21(20)25(2,3)29-23(24)16-18/h15-16,20-21,28H,4-14,17H2,1-3H3/t20-,21-/m1/s1
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3.34n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 cells


J Med Chem 53: 6996-7010 (2010)


Article DOI: 10.1021/jm100641g
BindingDB Entry DOI: 10.7270/Q2BP030V
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50219077
PNG
((6aR-trans)-3-[1-[(1Z)-1-hexenyl]cyclohexyl]-6a,7,...)
Show SMILES CCCC\C=C/C1(CCCCC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C28H40O2/c1-5-6-7-9-14-28(15-10-8-11-16-28)21-18-24(29)26-22-17-20(2)12-13-23(22)27(3,4)30-25(26)19-21/h9,12,14,18-19,22-23,29H,5-8,10-11,13,15-17H2,1-4H3/b14-9-/t22-,23-/m1/s1
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3.90n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in rat brain synaptosomal membrane


J Med Chem 50: 4048-60 (2007)


Article DOI: 10.1021/jm070121a
BindingDB Entry DOI: 10.7270/Q21N80VQ
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)
BDBM50219076
PNG
((6aR-trans)-3-(1-heptylcyclopropyl)-6a,7,10,10a-te...)
Show SMILES CCCCCCCC1(CC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H38O2/c1-5-6-7-8-9-12-26(13-14-26)19-16-22(27)24-20-15-18(2)10-11-21(20)25(3,4)28-23(24)17-19/h10,16-17,20-21,27H,5-9,11-15H2,1-4H3/t20-,21-/m1/s1
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4.20n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in mouse spleen membrane


J Med Chem 50: 4048-60 (2007)


Article DOI: 10.1021/jm070121a
BindingDB Entry DOI: 10.7270/Q21N80VQ
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)
BDBM50328671
PNG
((6aR,9R,10aR)-3-(1-hexylcyclobutyl)-6,6-dimethyl-6...)
Show SMILES CCCCCCC1(CCC1)c1cc(O)c2[C@@H]3C[C@H](O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O3/c1-4-5-6-7-11-25(12-8-13-25)17-14-21(27)23-19-16-18(26)9-10-20(19)24(2,3)28-22(23)15-17/h14-15,18-20,26-27H,4-13,16H2,1-3H3/t18-,19-,20-/m1/s1
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4.21n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from mouse spleen CB2 receptor


J Med Chem 53: 6996-7010 (2010)


Article DOI: 10.1021/jm100641g
BindingDB Entry DOI: 10.7270/Q2BP030V
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50328670
PNG
((6aR,9R,10aR)-3-(2-hexyl-1,3-dithiolan-2-yl)-6,6-d...)
Show SMILES CCCCCCC1(SCCS1)c1cc(O)c2[C@@H]3C[C@H](O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H36O3S2/c1-4-5-6-7-10-24(28-11-12-29-24)16-13-20(26)22-18-15-17(25)8-9-19(18)23(2,3)27-21(22)14-16/h13-14,17-19,25-26H,4-12,15H2,1-3H3/t17-,18-,19-/m1/s1
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4.51n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from rat brain CB1 receptor


J Med Chem 53: 6996-7010 (2010)


Article DOI: 10.1021/jm100641g
BindingDB Entry DOI: 10.7270/Q2BP030V
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)
BDBM50219077
PNG
((6aR-trans)-3-[1-[(1Z)-1-hexenyl]cyclohexyl]-6a,7,...)
Show SMILES CCCC\C=C/C1(CCCCC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C28H40O2/c1-5-6-7-9-14-28(15-10-8-11-16-28)21-18-24(29)26-22-17-20(2)12-13-23(22)27(3,4)30-25(26)19-21/h9,12,14,18-19,22-23,29H,5-8,10-11,13,15-17H2,1-4H3/b14-9-/t22-,23-/m1/s1
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4.90n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in mouse spleen membrane


J Med Chem 50: 4048-60 (2007)


Article DOI: 10.1021/jm070121a
BindingDB Entry DOI: 10.7270/Q21N80VQ
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50328667
PNG
((6aR,10aR)-3-[1-(6-Bromohexyl)cyclopentyl]-6,6a,7,...)
Show SMILES CC1(C)Oc2cc(cc(O)c2[C@@H]2CC(=O)CC[C@@H]12)C1(CCCCCCBr)CCCC1
Show InChI InChI=1S/C26H37BrO3/c1-25(2)21-10-9-19(28)17-20(21)24-22(29)15-18(16-23(24)30-25)26(12-6-7-13-26)11-5-3-4-8-14-27/h15-16,20-21,29H,3-14,17H2,1-2H3/t20-,21-/m1/s1
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4.96n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from rat brain CB1 receptor


J Med Chem 53: 6996-7010 (2010)


Article DOI: 10.1021/jm100641g
BindingDB Entry DOI: 10.7270/Q2BP030V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50328671
PNG
((6aR,9R,10aR)-3-(1-hexylcyclobutyl)-6,6-dimethyl-6...)
Show SMILES CCCCCCC1(CCC1)c1cc(O)c2[C@@H]3C[C@H](O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O3/c1-4-5-6-7-11-25(12-8-13-25)17-14-21(27)23-19-16-18(26)9-10-20(19)24(2,3)28-22(23)15-17/h14-15,18-20,26-27H,4-13,16H2,1-3H3/t18-,19-,20-/m1/s1
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5.13n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 cells


J Med Chem 53: 6996-7010 (2010)


Article DOI: 10.1021/jm100641g
BindingDB Entry DOI: 10.7270/Q2BP030V
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)
BDBM50328660
PNG
((6aR,10aR)-3-[1-(1,2-cis-Hexen-1-yl)-cyclopent-1-y...)
Show SMILES CCCC\C=C/C1(CCCC1)c1cc(O)c2[C@@H]3CC(=O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H36O3/c1-4-5-6-7-12-26(13-8-9-14-26)18-15-22(28)24-20-17-19(27)10-11-21(20)25(2,3)29-23(24)16-18/h7,12,15-16,20-21,28H,4-6,8-11,13-14,17H2,1-3H3/b12-7-/t20-,21-/m1/s1
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5.25n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from mouse spleen CB2 receptor


J Med Chem 53: 6996-7010 (2010)


Article DOI: 10.1021/jm100641g
BindingDB Entry DOI: 10.7270/Q2BP030V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50328669
PNG
((6aR,10aR)-3-[1-(5-Bromopentyl)cyclobutyl]-6,6a,7,...)
Show SMILES CC1(C)Oc2cc(cc(O)c2[C@@H]2CC(=O)CC[C@@H]12)C1(CCCCCBr)CCC1
Show InChI InChI=1S/C24H33BrO3/c1-23(2)19-8-7-17(26)15-18(19)22-20(27)13-16(14-21(22)28-23)24(10-6-11-24)9-4-3-5-12-25/h13-14,18-19,27H,3-12,15H2,1-2H3/t18-,19-/m1/s1
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5.88n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 cells


J Med Chem 53: 6996-7010 (2010)


Article DOI: 10.1021/jm100641g
BindingDB Entry DOI: 10.7270/Q2BP030V
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM173888
PNG
(US9102622, 66)
Show SMILES Cc1nnc(o1)C(=O)COc1ccc(O)cc1
Show InChI InChI=1S/C11H10N2O4/c1-7-12-13-11(17-7)10(15)6-16-9-4-2-8(14)3-5-9/h2-5,14H,6H2,1H3
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6n/a 100n/an/an/an/an/an/a



University of Connecticut

US Patent


Assay Description
All compound solutions are made to a concentration of 10 mM in DMSO. To test the stability of the compounds in enzyme assay conditions, 25 nmoles of ...


US Patent US9102622 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7G20
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50328662
PNG
((6aR,10aR)-3-(2-Hexyl-1,3-dithiolan-2-yl)-6,6a,7,8...)
Show SMILES CCCCCCC1(SCCS1)c1cc(O)c2[C@@H]3CC(=O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H34O3S2/c1-4-5-6-7-10-24(28-11-12-29-24)16-13-20(26)22-18-15-17(25)8-9-19(18)23(2,3)27-21(22)14-16/h13-14,18-19,26H,4-12,15H2,1-3H3/t18-,19-/m1/s1
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6.57n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from rat brain CB1 receptor


J Med Chem 53: 6996-7010 (2010)


Article DOI: 10.1021/jm100641g
BindingDB Entry DOI: 10.7270/Q2BP030V
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM173915
PNG
(US9102622, 89.11)
Show SMILES FC(F)(CCCCOc1cccc(OCc2ccccc2)c1)C(=O)c1cccnc1
Show InChI InChI=1S/C24H23F2NO3/c25-24(26,23(28)20-10-7-14-27-17-20)13-4-5-15-29-21-11-6-12-22(16-21)30-18-19-8-2-1-3-9-19/h1-3,6-12,14,16-17H,4-5,13,15,18H2
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7n/a 24n/an/an/an/an/an/a



University of Connecticut

US Patent


Assay Description
All compound solutions are made to a concentration of 10 mM in DMSO. To test the stability of the compounds in enzyme assay conditions, 25 nmoles of ...


US Patent US9102622 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7G20
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50328660
PNG
((6aR,10aR)-3-[1-(1,2-cis-Hexen-1-yl)-cyclopent-1-y...)
Show SMILES CCCC\C=C/C1(CCCC1)c1cc(O)c2[C@@H]3CC(=O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H36O3/c1-4-5-6-7-12-26(13-8-9-14-26)18-15-22(28)24-20-17-19(27)10-11-21(20)25(2,3)29-23(24)16-18/h7,12,15-16,20-21,28H,4-6,8-11,13-14,17H2,1-3H3/b12-7-/t20-,21-/m1/s1
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7.02n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 cells


J Med Chem 53: 6996-7010 (2010)


Article DOI: 10.1021/jm100641g
BindingDB Entry DOI: 10.7270/Q2BP030V
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)
BDBM50328669
PNG
((6aR,10aR)-3-[1-(5-Bromopentyl)cyclobutyl]-6,6a,7,...)
Show SMILES CC1(C)Oc2cc(cc(O)c2[C@@H]2CC(=O)CC[C@@H]12)C1(CCCCCBr)CCC1
Show InChI InChI=1S/C24H33BrO3/c1-23(2)19-8-7-17(26)15-18(19)22-20(27)13-16(14-21(22)28-23)24(10-6-11-24)9-4-3-5-12-25/h13-14,18-19,27H,3-12,15H2,1-2H3/t18-,19-/m1/s1
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7.56n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from mouse spleen CB2 receptor


J Med Chem 53: 6996-7010 (2010)


Article DOI: 10.1021/jm100641g
BindingDB Entry DOI: 10.7270/Q2BP030V
More data for this
Ligand-Target Pair
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