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Compile Data Set for Download or QSAR

Found 55 hits Enz. Inhib. hit(s) with all data for entry = 50038399   
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 1


(Rattus norvegicus (rat))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r|
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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0.580n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain membrane


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r|
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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0.690n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


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


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50323910
PNG
(2-((1S,3R)-3-hydroxycyclohexyl)-5-(2-methyloctan-2...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)c(O)c1
Show InChI InChI=1S/C21H34O2/c1-4-5-6-7-13-21(2,3)17-11-12-19(20(23)15-17)16-9-8-10-18(22)14-16/h11-12,15-16,18,22-23H,4-10,13-14H2,1-3H3/t16-,18+/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain membrane


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
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



Clemson University

Curated by ChEMBL


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


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
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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41n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain membrane


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50375866
PNG
(CHEMBL265933 | JWH-405)
Show SMILES CCCCCCCC(C)(C)c1ccc(cc1)[C@@H]1CCC[C@@H](O)C1
Show InChI InChI=1S/C22H36O/c1-4-5-6-7-8-16-22(2,3)20-14-12-18(13-15-20)19-10-9-11-21(23)17-19/h12-15,19,21,23H,4-11,16-17H2,1-3H3/t19-,21-/m1/s1
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154n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


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


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50375862
PNG
(CHEMBL259723 | JWH-345)
Show SMILES CCCCCCCC(C)(C)c1ccc(cc1)[C@@H]1C[C@H](O)CC[C@H]1CCCO
Show InChI InChI=1S/C25H42O2/c1-4-5-6-7-8-17-25(2,3)22-14-11-21(12-15-22)24-19-23(27)16-13-20(24)10-9-18-26/h11-12,14-15,20,23-24,26-27H,4-10,13,16-19H2,1-3H3/t20-,23-,24-/m1/s1
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173n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


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


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50375867
PNG
(CHEMBL260130 | JWH-342)
Show SMILES CCCCCCC(C)(C)c1ccc(cc1)[C@@H]1CCC[C@@H](O)C1
Show InChI InChI=1S/C21H34O/c1-4-5-6-7-15-21(2,3)19-13-11-17(12-14-19)18-9-8-10-20(22)16-18/h11-14,18,20,22H,4-10,15-16H2,1-3H3/t18-,20-/m1/s1
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178n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


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


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50375866
PNG
(CHEMBL265933 | JWH-405)
Show SMILES CCCCCCCC(C)(C)c1ccc(cc1)[C@@H]1CCC[C@@H](O)C1
Show InChI InChI=1S/C22H36O/c1-4-5-6-7-8-16-22(2,3)20-14-12-18(13-15-20)19-10-9-11-21(23)17-19/h12-15,19,21,23H,4-11,16-17H2,1-3H3/t19-,21-/m1/s1
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193n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain membrane


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50375868
PNG
(CHEMBL261495 | JWH-406)
Show SMILES CCCCCC(C)(C)c1ccc(cc1)[C@@H]1CCC[C@@H](O)C1
Show InChI InChI=1S/C20H32O/c1-4-5-6-14-20(2,3)18-12-10-16(11-13-18)17-8-7-9-19(21)15-17/h10-13,17,19,21H,4-9,14-15H2,1-3H3/t17-,19-/m1/s1
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215n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


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


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50375860
PNG
(CHEMBL260253 | JWH-344)
Show SMILES CCCCCC(C)(C)c1ccc(cc1)[C@@H]1C[C@H](O)CC[C@H]1CCCO
Show InChI InChI=1S/C23H38O2/c1-4-5-6-15-23(2,3)20-12-9-19(10-13-20)22-17-21(25)14-11-18(22)8-7-16-24/h9-10,12-13,18,21-22,24-25H,4-8,11,14-17H2,1-3H3/t18-,21-,22-/m1/s1
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221n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


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


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50323907
PNG
((1R*,3S*)-3-[4-(1,1-dimethylheptyl)phenyl]cyclohex...)
Show SMILES CCCCCCC(C)(C)c1ccc(cc1)[C@H]1CCC[C@@H](O)C1
Show InChI InChI=1S/C21H34O/c1-4-5-6-7-15-21(2,3)19-13-11-17(12-14-19)18-9-8-10-20(22)16-18/h11-14,18,20,22H,4-10,15-16H2,1-3H3/t18-,20+/m0/s1
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231n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


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


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50375861
PNG
(CHEMBL408777 | JWH-337)
Show SMILES CCCCCCC(C)(C)c1ccc(cc1)[C@@H]1C[C@H](O)CC[C@H]1CCCO
Show InChI InChI=1S/C24H40O2/c1-4-5-6-7-16-24(2,3)21-13-10-20(11-14-21)23-18-22(26)15-12-19(23)9-8-17-25/h10-11,13-14,19,22-23,25-26H,4-9,12,15-18H2,1-3H3/t19-,22-,23-/m1/s1
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238n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


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


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50375862
PNG
(CHEMBL259723 | JWH-345)
Show SMILES CCCCCCCC(C)(C)c1ccc(cc1)[C@@H]1C[C@H](O)CC[C@H]1CCCO
Show InChI InChI=1S/C25H42O2/c1-4-5-6-7-8-17-25(2,3)22-14-11-21(12-15-22)24-19-23(27)16-13-20(24)10-9-18-26/h11-12,14-15,20,23-24,26-27H,4-10,13,16-19H2,1-3H3/t20-,23-,24-/m1/s1
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266n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain membrane


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50375860
PNG
(CHEMBL260253 | JWH-344)
Show SMILES CCCCCC(C)(C)c1ccc(cc1)[C@@H]1C[C@H](O)CC[C@H]1CCCO
Show InChI InChI=1S/C23H38O2/c1-4-5-6-15-23(2,3)20-12-9-19(10-13-20)22-17-21(25)14-11-18(22)8-7-16-24/h9-10,12-13,18,21-22,24-25H,4-8,11,14-17H2,1-3H3/t18-,21-,22-/m1/s1
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308n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain membrane


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50375863
PNG
(CHEMBL259518 | JWH-385)
Show SMILES CCCCCCCCC(C)(C)c1ccc(cc1)[C@@H]1C[C@H](O)CC[C@H]1CCCO
Show InChI InChI=1S/C26H44O2/c1-4-5-6-7-8-9-18-26(2,3)23-15-12-22(13-16-23)25-20-24(28)17-14-21(25)11-10-19-27/h12-13,15-16,21,24-25,27-28H,4-11,14,17-20H2,1-3H3/t21-,24-,25-/m1/s1
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421n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


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


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50375875
PNG
(CHEMBL263385 | JWH-403)
Show SMILES CCCCCC(C)(C)c1ccc(cc1)[C@H]1CCC[C@@H](O)C1
Show InChI InChI=1S/C20H32O/c1-4-5-6-14-20(2,3)18-12-10-16(11-13-18)17-8-7-9-19(21)15-17/h10-13,17,19,21H,4-9,14-15H2,1-3H3/t17-,19+/m0/s1
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460n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


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


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50375869
PNG
(CHEMBL261494 | JWH-407)
Show SMILES CCCCC(C)(C)c1ccc(cc1)[C@@H]1CCC[C@@H](O)C1
Show InChI InChI=1S/C19H30O/c1-4-5-13-19(2,3)17-11-9-15(10-12-17)16-7-6-8-18(20)14-16/h9-12,16,18,20H,4-8,13-14H2,1-3H3/t16-,18-/m1/s1
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546n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


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


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50375861
PNG
(CHEMBL408777 | JWH-337)
Show SMILES CCCCCCC(C)(C)c1ccc(cc1)[C@@H]1C[C@H](O)CC[C@H]1CCCO
Show InChI InChI=1S/C24H40O2/c1-4-5-6-7-16-24(2,3)21-13-10-20(11-14-21)23-18-22(26)15-12-19(23)9-8-17-25/h10-11,13-14,19,22-23,25-26H,4-9,12,15-18H2,1-3H3/t19-,22-,23-/m1/s1
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547n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain membrane


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50375863
PNG
(CHEMBL259518 | JWH-385)
Show SMILES CCCCCCCCC(C)(C)c1ccc(cc1)[C@@H]1C[C@H](O)CC[C@H]1CCCO
Show InChI InChI=1S/C26H44O2/c1-4-5-6-7-8-9-18-26(2,3)23-15-12-22(13-16-23)25-20-24(28)17-14-21(25)11-10-19-27/h12-13,15-16,21,24-25,27-28H,4-11,14,17-20H2,1-3H3/t21-,24-,25-/m1/s1
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566n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain membrane


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50375859
PNG
(CHEMBL264412 | JWH-325)
Show SMILES CCCCC(C)(C)c1ccc(cc1)[C@@H]1C[C@H](O)CC[C@H]1CCCO
Show InChI InChI=1S/C22H36O2/c1-4-5-14-22(2,3)19-11-8-18(9-12-19)21-16-20(24)13-10-17(21)7-6-15-23/h8-9,11-12,17,20-21,23-24H,4-7,10,13-16H2,1-3H3/t17-,20-,21-/m1/s1
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579n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain membrane


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50375876
PNG
(CHEMBL263399 | JWH-323)
Show SMILES CCCCC(C)(C)c1ccc(cc1)[C@H]1CCC[C@@H](O)C1
Show InChI InChI=1S/C19H30O/c1-4-5-13-19(2,3)17-11-9-15(10-12-17)16-7-6-8-18(20)14-16/h9-12,16,18,20H,4-8,13-14H2,1-3H3/t16-,18+/m0/s1
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639n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


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


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50375867
PNG
(CHEMBL260130 | JWH-342)
Show SMILES CCCCCCC(C)(C)c1ccc(cc1)[C@@H]1CCC[C@@H](O)C1
Show InChI InChI=1S/C21H34O/c1-4-5-6-7-15-21(2,3)19-13-11-17(12-14-19)18-9-8-10-20(22)16-18/h11-14,18,20,22H,4-10,15-16H2,1-3H3/t18-,20-/m1/s1
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645n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain membrane


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50375874
PNG
(CHEMBL262336 | JWH-404)
Show SMILES CCCCCCCC(C)(C)c1ccc(cc1)[C@H]1CCC[C@@H](O)C1
Show InChI InChI=1S/C22H36O/c1-4-5-6-7-8-16-22(2,3)20-14-12-18(13-15-20)19-10-9-11-21(23)17-19/h12-15,19,21,23H,4-11,16-17H2,1-3H3/t19-,21+/m0/s1
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672n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


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


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50375859
PNG
(CHEMBL264412 | JWH-325)
Show SMILES CCCCC(C)(C)c1ccc(cc1)[C@@H]1C[C@H](O)CC[C@H]1CCCO
Show InChI InChI=1S/C22H36O2/c1-4-5-14-22(2,3)19-11-8-18(9-12-19)21-16-20(24)13-10-17(21)7-6-15-23/h8-9,11-12,17,20-21,23-24H,4-7,10,13-16H2,1-3H3/t17-,20-,21-/m1/s1
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700n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


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


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50375865
PNG
(CHEMBL265934 | JWH-402)
Show SMILES CCCCCCCCC(C)(C)c1ccc(cc1)[C@@H]1CCC[C@@H](O)C1
Show InChI InChI=1S/C23H38O/c1-4-5-6-7-8-9-17-23(2,3)21-15-13-19(14-16-21)20-11-10-12-22(24)18-20/h13-16,20,22,24H,4-12,17-18H2,1-3H3/t20-,22-/m1/s1
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749n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain membrane


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50375874
PNG
(CHEMBL262336 | JWH-404)
Show SMILES CCCCCCCC(C)(C)c1ccc(cc1)[C@H]1CCC[C@@H](O)C1
Show InChI InChI=1S/C22H36O/c1-4-5-6-7-8-16-22(2,3)20-14-12-18(13-15-20)19-10-9-11-21(23)17-19/h12-15,19,21,23H,4-11,16-17H2,1-3H3/t19-,21+/m0/s1
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786n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain membrane


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50375868
PNG
(CHEMBL261495 | JWH-406)
Show SMILES CCCCCC(C)(C)c1ccc(cc1)[C@@H]1CCC[C@@H](O)C1
Show InChI InChI=1S/C20H32O/c1-4-5-6-14-20(2,3)18-12-10-16(11-13-18)17-8-7-9-19(21)15-17/h10-13,17,19,21H,4-9,14-15H2,1-3H3/t17-,19-/m1/s1
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1.03E+3n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain membrane


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50375865
PNG
(CHEMBL265934 | JWH-402)
Show SMILES CCCCCCCCC(C)(C)c1ccc(cc1)[C@@H]1CCC[C@@H](O)C1
Show InChI InChI=1S/C23H38O/c1-4-5-6-7-8-9-17-23(2,3)21-15-13-19(14-16-21)20-11-10-12-22(24)18-20/h13-16,20,22,24H,4-12,17-18H2,1-3H3/t20-,22-/m1/s1
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1.08E+3n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


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


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50375873
PNG
(CHEMBL262337 | JWH-401)
Show SMILES CCCCCCCCC(C)(C)c1ccc(cc1)[C@H]1CCC[C@@H](O)C1
Show InChI InChI=1S/C23H38O/c1-4-5-6-7-8-9-17-23(2,3)21-15-13-19(14-16-21)20-11-10-12-22(24)18-20/h13-16,20,22,24H,4-12,17-18H2,1-3H3/t20-,22+/m0/s1
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1.12E+3n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


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


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50375857
PNG
(CHEMBL263885 | JWH-343)
Show SMILES CCC(C)(C)c1ccc(cc1)[C@@H]1C[C@H](O)CC[C@H]1CCCO
Show InChI InChI=1S/C20H32O2/c1-4-20(2,3)17-10-7-16(8-11-17)19-14-18(22)12-9-15(19)6-5-13-21/h7-8,10-11,15,18-19,21-22H,4-6,9,12-14H2,1-3H3/t15-,18-,19-/m1/s1
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1.36E+3n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


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


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50375870
PNG
(CHEMBL260005 | JWH-297)
Show SMILES CCCC(C)(C)c1ccc(cc1)[C@@H]1CCC[C@@H](O)C1
Show InChI InChI=1S/C18H28O/c1-4-12-18(2,3)16-10-8-14(9-11-16)15-6-5-7-17(19)13-15/h8-11,15,17,19H,4-7,12-13H2,1-3H3/t15-,17-/m1/s1
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1.51E+3n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


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


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50375873
PNG
(CHEMBL262337 | JWH-401)
Show SMILES CCCCCCCCC(C)(C)c1ccc(cc1)[C@H]1CCC[C@@H](O)C1
Show InChI InChI=1S/C23H38O/c1-4-5-6-7-8-9-17-23(2,3)21-15-13-19(14-16-21)20-11-10-12-22(24)18-20/h13-16,20,22,24H,4-12,17-18H2,1-3H3/t20-,22+/m0/s1
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1.71E+3n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain membrane


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50375869
PNG
(CHEMBL261494 | JWH-407)
Show SMILES CCCCC(C)(C)c1ccc(cc1)[C@@H]1CCC[C@@H](O)C1
Show InChI InChI=1S/C19H30O/c1-4-5-13-19(2,3)17-11-9-15(10-12-17)16-7-6-8-18(20)14-16/h9-12,16,18,20H,4-8,13-14H2,1-3H3/t16-,18-/m1/s1
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1.73E+3n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain membrane


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50375858
PNG
(CHEMBL260483 | JWH-392)
Show SMILES CCCC(C)(C)c1ccc(cc1)[C@@H]1C[C@H](O)CC[C@H]1CCCO
Show InChI InChI=1S/C21H34O2/c1-4-13-21(2,3)18-10-7-17(8-11-18)20-15-19(23)12-9-16(20)6-5-14-22/h7-8,10-11,16,19-20,22-23H,4-6,9,12-15H2,1-3H3/t16-,19-,20-/m1/s1
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1.78E+3n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


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


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50375877
PNG
(CHEMBL408060 | JWH-296)
Show SMILES CCCC(C)(C)c1ccc(cc1)[C@H]1CCC[C@@H](O)C1
Show InChI InChI=1S/C18H28O/c1-4-12-18(2,3)16-10-8-14(9-11-16)15-6-5-7-17(19)13-15/h8-11,15,17,19H,4-7,12-13H2,1-3H3/t15-,17+/m0/s1
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2.06E+3n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


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


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50375875
PNG
(CHEMBL263385 | JWH-403)
Show SMILES CCCCCC(C)(C)c1ccc(cc1)[C@H]1CCC[C@@H](O)C1
Show InChI InChI=1S/C20H32O/c1-4-5-6-14-20(2,3)18-12-10-16(11-13-18)17-8-7-9-19(21)15-17/h10-13,17,19,21H,4-9,14-15H2,1-3H3/t17-,19+/m0/s1
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2.11E+3n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain membrane


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50323907
PNG
((1R*,3S*)-3-[4-(1,1-dimethylheptyl)phenyl]cyclohex...)
Show SMILES CCCCCCC(C)(C)c1ccc(cc1)[C@H]1CCC[C@@H](O)C1
Show InChI InChI=1S/C21H34O/c1-4-5-6-7-15-21(2,3)19-13-11-17(12-14-19)18-9-8-10-20(22)16-18/h11-14,18,20,22H,4-10,15-16H2,1-3H3/t18-,20+/m0/s1
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2.95E+3n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain membrane


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50375871
PNG
(CHEMBL407763 | JWH-295)
Show SMILES CCC(C)(C)c1ccc(cc1)[C@@H]1CCC[C@@H](O)C1
Show InChI InChI=1S/C17H26O/c1-4-17(2,3)15-10-8-13(9-11-15)14-6-5-7-16(18)12-14/h8-11,14,16,18H,4-7,12H2,1-3H3/t14-,16-/m1/s1
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3.76E+3n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


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


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50375858
PNG
(CHEMBL260483 | JWH-392)
Show SMILES CCCC(C)(C)c1ccc(cc1)[C@@H]1C[C@H](O)CC[C@H]1CCCO
Show InChI InChI=1S/C21H34O2/c1-4-13-21(2,3)18-10-7-17(8-11-18)20-15-19(23)12-9-16(20)6-5-14-22/h7-8,10-11,16,19-20,22-23H,4-6,9,12-15H2,1-3H3/t16-,19-,20-/m1/s1
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3.80E+3n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain membrane


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50375878
PNG
(CHEMBL259293 | JWH-294)
Show SMILES CCC(C)(C)c1ccc(cc1)[C@H]1CCC[C@@H](O)C1
Show InChI InChI=1S/C17H26O/c1-4-17(2,3)15-10-8-13(9-11-15)14-6-5-7-16(18)12-14/h8-11,14,16,18H,4-7,12H2,1-3H3/t14-,16+/m0/s1
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3.97E+3n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


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


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50375870
PNG
(CHEMBL260005 | JWH-297)
Show SMILES CCCC(C)(C)c1ccc(cc1)[C@@H]1CCC[C@@H](O)C1
Show InChI InChI=1S/C18H28O/c1-4-12-18(2,3)16-10-8-14(9-11-16)15-6-5-7-17(19)13-15/h8-11,15,17,19H,4-7,12-13H2,1-3H3/t15-,17-/m1/s1
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8.63E+3n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain membrane


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50375877
PNG
(CHEMBL408060 | JWH-296)
Show SMILES CCCC(C)(C)c1ccc(cc1)[C@H]1CCC[C@@H](O)C1
Show InChI InChI=1S/C18H28O/c1-4-12-18(2,3)16-10-8-14(9-11-16)15-6-5-7-17(19)13-15/h8-11,15,17,19H,4-7,12-13H2,1-3H3/t15-,17+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain membrane


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50375876
PNG
(CHEMBL263399 | JWH-323)
Show SMILES CCCCC(C)(C)c1ccc(cc1)[C@H]1CCC[C@@H](O)C1
Show InChI InChI=1S/C19H30O/c1-4-5-13-19(2,3)17-11-9-15(10-12-17)16-7-6-8-18(20)14-16/h9-12,16,18,20H,4-8,13-14H2,1-3H3/t16-,18+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain membrane


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50375872
PNG
(CHEMBL262338 | JWH-232)
Show SMILES CC(C)(C)c1ccc(cc1)[C@@H]1CCC[C@@H](O)C1
Show InChI InChI=1S/C16H24O/c1-16(2,3)14-9-7-12(8-10-14)13-5-4-6-15(17)11-13/h7-10,13,15,17H,4-6,11H2,1-3H3/t13-,15-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain membrane


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50375871
PNG
(CHEMBL407763 | JWH-295)
Show SMILES CCC(C)(C)c1ccc(cc1)[C@@H]1CCC[C@@H](O)C1
Show InChI InChI=1S/C17H26O/c1-4-17(2,3)15-10-8-13(9-11-15)14-6-5-7-16(18)12-14/h8-11,14,16,18H,4-7,12H2,1-3H3/t14-,16-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain membrane


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50375864
PNG
(CHEMBL263632 | JWH-384)
Show SMILES CC(C)(C)c1ccc(cc1)[C@@H]1C[C@H](O)CC[C@H]1CCCO
Show InChI InChI=1S/C19H30O2/c1-19(2,3)16-9-6-15(7-10-16)18-13-17(21)11-8-14(18)5-4-12-20/h6-7,9-10,14,17-18,20-21H,4-5,8,11-13H2,1-3H3/t14-,17-,18-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain membrane


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50375879
PNG
(CHEMBL259296 | JWH-231)
Show SMILES CC(C)(C)c1ccc(cc1)[C@H]1CCC[C@@H](O)C1
Show InChI InChI=1S/C16H24O/c1-16(2,3)14-9-7-12(8-10-14)13-5-4-6-15(17)11-13/h7-10,13,15,17H,4-6,11H2,1-3H3/t13-,15+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


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


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50375864
PNG
(CHEMBL263632 | JWH-384)
Show SMILES CC(C)(C)c1ccc(cc1)[C@@H]1C[C@H](O)CC[C@H]1CCCO
Show InChI InChI=1S/C19H30O2/c1-19(2,3)16-9-6-15(7-10-16)18-13-17(21)11-8-14(18)5-4-12-20/h6-7,9-10,14,17-18,20-21H,4-5,8,11-13H2,1-3H3/t14-,17-,18-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


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


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50375879
PNG
(CHEMBL259296 | JWH-231)
Show SMILES CC(C)(C)c1ccc(cc1)[C@H]1CCC[C@@H](O)C1
Show InChI InChI=1S/C16H24O/c1-16(2,3)14-9-7-12(8-10-14)13-5-4-6-15(17)11-13/h7-10,13,15,17H,4-6,11H2,1-3H3/t13-,15+/m0/s1
PDB

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>1.00E+4n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain membrane


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
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