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Compile Data Set for Download or QSAR

Found 246 hits with Last Name = 'bush' and Initial = 'k'   
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))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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0.280n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from cloned human CB2 receptor


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from CB1 receptor of rat brain


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50170357
PNG
(2-(2-Chloro-phenyl)-1-(1-pentyl-1H-indol-3-yl)-eth...)
Show SMILES CCCCCn1cc(C(=O)Cc2ccccc2Cl)c2ccccc12
Show InChI InChI=1S/C21H22ClNO/c1-2-3-8-13-23-15-18(17-10-5-7-12-20(17)23)21(24)14-16-9-4-6-11-19(16)22/h4-7,9-12,15H,2-3,8,13-14H2,1H3
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7n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from cloned human CB2 receptor


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50170357
PNG
(2-(2-Chloro-phenyl)-1-(1-pentyl-1H-indol-3-yl)-eth...)
Show SMILES CCCCCn1cc(C(=O)Cc2ccccc2Cl)c2ccccc12
Show InChI InChI=1S/C21H22ClNO/c1-2-3-8-13-23-15-18(17-10-5-7-12-20(17)23)21(24)14-16-9-4-6-11-19(16)22/h4-7,9-12,15H,2-3,8,13-14H2,1H3
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8n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from CB1 receptor of rat brain


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50170337
PNG
(2-(2-Bromo-phenyl)-1-(1-pentyl-1H-indol-3-yl)-etha...)
Show SMILES CCCCCn1cc(C(=O)Cc2ccccc2Br)c2ccccc12
Show InChI InChI=1S/C21H22BrNO/c1-2-3-8-13-23-15-18(17-10-5-7-12-20(17)23)21(24)14-16-9-4-6-11-19(16)22/h4-7,9-12,15H,2-3,8,13-14H2,1H3
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8.40n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from CB1 receptor of rat brain


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50170335
PNG
(2-(2-Methoxy-phenyl)-1-(1-pentyl-1H-indol-3-yl)-et...)
Show SMILES CCCCCn1cc(C(=O)Cc2ccccc2OC)c2ccccc12
Show InChI InChI=1S/C22H25NO2/c1-3-4-9-14-23-16-19(18-11-6-7-12-20(18)23)21(24)15-17-10-5-8-13-22(17)25-2/h5-8,10-13,16H,3-4,9,14-15H2,1-2H3
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11n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from CB1 receptor of rat brain


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50170356
PNG
(2-(2-Chloro-phenyl)-1-(2-methyl-1-pentyl-1H-indol-...)
Show SMILES CCCCCn1c(C)c(C(=O)Cc2ccccc2Cl)c2ccccc12
Show InChI InChI=1S/C22H24ClNO/c1-3-4-9-14-24-16(2)22(18-11-6-8-13-20(18)24)21(25)15-17-10-5-7-12-19(17)23/h5-8,10-13H,3-4,9,14-15H2,1-2H3
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13n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from CB1 receptor of rat brain


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50170345
PNG
(2-(2-Bromo-phenyl)-1-(2-methyl-1-pentyl-1H-indol-3...)
Show SMILES CCCCCn1c(C)c(C(=O)Cc2ccccc2Br)c2ccccc12
Show InChI InChI=1S/C22H24BrNO/c1-3-4-9-14-24-16(2)22(18-11-6-8-13-20(18)24)21(25)15-17-10-5-7-12-19(17)23/h5-8,10-13H,3-4,9,14-15H2,1-2H3
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15n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from CB1 receptor of rat brain


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50170333
PNG
(2-(3-Methoxy-phenyl)-1-(1-pentyl-1H-indol-3-yl)-et...)
Show SMILES CCCCCn1cc(C(=O)Cc2cccc(OC)c2)c2ccccc12
Show InChI InChI=1S/C22H25NO2/c1-3-4-7-13-23-16-20(19-11-5-6-12-21(19)23)22(24)15-17-9-8-10-18(14-17)25-2/h5-6,8-12,14,16H,3-4,7,13,15H2,1-2H3
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17n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from CB1 receptor of rat brain


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50170343
PNG
(1-(2-Methyl-1-pentyl-1H-indol-3-yl)-2-o-tolyl-etha...)
Show SMILES CCCCCn1c(C)c(C(=O)Cc2ccccc2C)c2ccccc12
Show InChI InChI=1S/C23H27NO/c1-4-5-10-15-24-18(3)23(20-13-8-9-14-21(20)24)22(25)16-19-12-7-6-11-17(19)2/h6-9,11-14H,4-5,10,15-16H2,1-3H3
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19n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from cloned human CB2 receptor


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50170337
PNG
(2-(2-Bromo-phenyl)-1-(1-pentyl-1H-indol-3-yl)-etha...)
Show SMILES CCCCCn1cc(C(=O)Cc2ccccc2Br)c2ccccc12
Show InChI InChI=1S/C21H22BrNO/c1-2-3-8-13-23-15-18(17-10-5-7-12-20(17)23)21(24)14-16-9-4-6-11-19(16)22/h4-7,9-12,15H,2-3,8,13-14H2,1H3
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20n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from cloned human CB2 receptor


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50170331
PNG
(2-(2-Fluoro-phenyl)-1-(1-pentyl-1H-indol-3-yl)-eth...)
Show SMILES CCCCCn1cc(C(=O)Cc2ccccc2F)c2ccccc12
Show InChI InChI=1S/C21H22FNO/c1-2-3-8-13-23-15-18(17-10-5-7-12-20(17)23)21(24)14-16-9-4-6-11-19(16)22/h4-7,9-12,15H,2-3,8,13-14H2,1H3
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23n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from CB1 receptor of rat brain


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50170343
PNG
(1-(2-Methyl-1-pentyl-1H-indol-3-yl)-2-o-tolyl-etha...)
Show SMILES CCCCCn1c(C)c(C(=O)Cc2ccccc2C)c2ccccc12
Show InChI InChI=1S/C23H27NO/c1-4-5-10-15-24-18(3)23(20-13-8-9-14-21(20)24)22(25)16-19-12-7-6-11-17(19)2/h6-9,11-14H,4-5,10,15-16H2,1-3H3
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23n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from CB1 receptor of rat brain


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50170356
PNG
(2-(2-Chloro-phenyl)-1-(2-methyl-1-pentyl-1H-indol-...)
Show SMILES CCCCCn1c(C)c(C(=O)Cc2ccccc2Cl)c2ccccc12
Show InChI InChI=1S/C22H24ClNO/c1-3-4-9-14-24-16(2)22(18-11-6-8-13-20(18)24)21(25)15-17-10-5-7-12-19(17)23/h5-8,10-13H,3-4,9,14-15H2,1-2H3
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25n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from cloned human CB2 receptor


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50170342
PNG
(2-(2-Methoxy-phenyl)-1-(2-methyl-1-pentyl-1H-indol...)
Show SMILES CCCCCn1c(C)c(C(=O)Cc2ccccc2OC)c2ccccc12
Show InChI InChI=1S/C23H27NO2/c1-4-5-10-15-24-17(2)23(19-12-7-8-13-20(19)24)21(25)16-18-11-6-9-14-22(18)26-3/h6-9,11-14H,4-5,10,15-16H2,1-3H3
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25n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from CB1 receptor of rat brain


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50170339
PNG
(1-(1-Pentyl-1H-indol-3-yl)-2-o-tolyl-ethanone | 1-...)
Show SMILES CCCCCn1cc(C(=O)Cc2ccccc2C)c2ccccc12
Show InChI InChI=1S/C22H25NO/c1-3-4-9-14-23-16-20(19-12-7-8-13-21(19)23)22(24)15-18-11-6-5-10-17(18)2/h5-8,10-13,16H,3-4,9,14-15H2,1-2H3
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29n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from CB1 receptor of rat brain


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50170345
PNG
(2-(2-Bromo-phenyl)-1-(2-methyl-1-pentyl-1H-indol-3...)
Show SMILES CCCCCn1c(C)c(C(=O)Cc2ccccc2Br)c2ccccc12
Show InChI InChI=1S/C22H24BrNO/c1-3-4-9-14-24-16(2)22(18-11-6-8-13-20(18)24)21(25)15-17-10-5-7-12-19(17)23/h5-8,10-13H,3-4,9,14-15H2,1-2H3
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29n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from cloned human CB2 receptor


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50170335
PNG
(2-(2-Methoxy-phenyl)-1-(1-pentyl-1H-indol-3-yl)-et...)
Show SMILES CCCCCn1cc(C(=O)Cc2ccccc2OC)c2ccccc12
Show InChI InChI=1S/C22H25NO2/c1-3-4-9-14-23-16-19(18-11-6-7-12-20(18)23)21(24)15-17-10-5-8-13-22(17)25-2/h5-8,10-13,16H,3-4,9,14-15H2,1-2H3
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33n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from cloned human CB2 receptor


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
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
Binding affinity to displace [3H]CP-55,940 from cloned human CB2 receptor


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50170332
PNG
(2-(3-Chloro-phenyl)-1-(1-pentyl-1H-indol-3-yl)-eth...)
Show SMILES CCCCCn1cc(C(=O)Cc2cccc(Cl)c2)c2ccccc12
Show InChI InChI=1S/C21H22ClNO/c1-2-3-6-12-23-15-19(18-10-4-5-11-20(18)23)21(24)14-16-8-7-9-17(22)13-16/h4-5,7-11,13,15H,2-3,6,12,14H2,1H3
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38n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from CB1 receptor of rat brain


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50170331
PNG
(2-(2-Fluoro-phenyl)-1-(1-pentyl-1H-indol-3-yl)-eth...)
Show SMILES CCCCCn1cc(C(=O)Cc2ccccc2F)c2ccccc12
Show InChI InChI=1S/C21H22FNO/c1-2-3-8-13-23-15-18(17-10-5-7-12-20(17)23)21(24)14-16-9-4-6-11-19(16)22/h4-7,9-12,15H,2-3,8,13-14H2,1H3
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39n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from cloned human CB2 receptor


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50170354
PNG
(2-(2-Fluoro-phenyl)-1-(2-methyl-1-pentyl-1H-indol-...)
Show SMILES CCCCCn1c(C)c(C(=O)Cc2ccccc2F)c2ccccc12
Show InChI InChI=1S/C22H24FNO/c1-3-4-9-14-24-16(2)22(18-11-6-8-13-20(18)24)21(25)15-17-10-5-7-12-19(17)23/h5-8,10-13H,3-4,9,14-15H2,1-2H3
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39n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from CB1 receptor of rat brain


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
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
Binding affinity to displace [3H]CP-55,940 from CB1 receptor of rat brain


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50170334
PNG
(2-(3-Methoxy-phenyl)-1-(2-methyl-1-pentyl-1H-indol...)
Show SMILES CCCCCn1c(C)c(C(=O)Cc2cccc(OC)c2)c2ccccc12
Show InChI InChI=1S/C23H27NO2/c1-4-5-8-14-24-17(2)23(20-12-6-7-13-21(20)24)22(25)16-18-10-9-11-19(15-18)26-3/h6-7,9-13,15H,4-5,8,14,16H2,1-3H3
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62n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from CB1 receptor of rat brain


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50170344
PNG
(2-(3-Fluoro-phenyl)-1-(1-pentyl-1H-indol-3-yl)-eth...)
Show SMILES CCCCCn1cc(C(=O)Cc2cccc(F)c2)c2ccccc12
Show InChI InChI=1S/C21H22FNO/c1-2-3-6-12-23-15-19(18-10-4-5-11-20(18)23)21(24)14-16-8-7-9-17(22)13-16/h4-5,7-11,13,15H,2-3,6,12,14H2,1H3
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72n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from CB1 receptor of rat brain


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50170354
PNG
(2-(2-Fluoro-phenyl)-1-(2-methyl-1-pentyl-1H-indol-...)
Show SMILES CCCCCn1c(C)c(C(=O)Cc2ccccc2F)c2ccccc12
Show InChI InChI=1S/C22H24FNO/c1-3-4-9-14-24-16(2)22(18-11-6-8-13-20(18)24)21(25)15-17-10-5-7-12-19(17)23/h5-8,10-13H,3-4,9,14-15H2,1-2H3
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76n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from cloned human CB2 receptor


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50170342
PNG
(2-(2-Methoxy-phenyl)-1-(2-methyl-1-pentyl-1H-indol...)
Show SMILES CCCCCn1c(C)c(C(=O)Cc2ccccc2OC)c2ccccc12
Show InChI InChI=1S/C23H27NO2/c1-4-5-10-15-24-17(2)23(19-12-7-8-13-20(19)24)21(25)16-18-11-6-9-14-22(18)26-3/h6-9,11-14H,4-5,10,15-16H2,1-3H3
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82n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from cloned human CB2 receptor


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50170334
PNG
(2-(3-Methoxy-phenyl)-1-(2-methyl-1-pentyl-1H-indol...)
Show SMILES CCCCCn1c(C)c(C(=O)Cc2cccc(OC)c2)c2ccccc12
Show InChI InChI=1S/C23H27NO2/c1-4-5-8-14-24-17(2)23(20-12-6-7-13-21(20)24)22(25)16-18-10-9-11-19(15-18)26-3/h6-7,9-13,15H,4-5,8,14,16H2,1-3H3
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84n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from cloned human CB2 receptor


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50170333
PNG
(2-(3-Methoxy-phenyl)-1-(1-pentyl-1H-indol-3-yl)-et...)
Show SMILES CCCCCn1cc(C(=O)Cc2cccc(OC)c2)c2ccccc12
Show InChI InChI=1S/C22H25NO2/c1-3-4-7-13-23-16-20(19-11-5-6-12-21(19)23)22(24)15-17-9-8-10-18(14-17)25-2/h5-6,8-12,14,16H,3-4,7,13,15H2,1-2H3
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89n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from cloned human CB2 receptor


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50170338
PNG
(1-(1-Pentyl-1H-indol-3-yl)-2-phenyl-ethanone | 1-(...)
Show SMILES CCCCCn1cc(C(=O)Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H23NO/c1-2-3-9-14-22-16-19(18-12-7-8-13-20(18)22)21(23)15-17-10-5-4-6-11-17/h4-8,10-13,16H,2-3,9,14-15H2,1H3
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90n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from CB1 receptor of rat brain


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50170344
PNG
(2-(3-Fluoro-phenyl)-1-(1-pentyl-1H-indol-3-yl)-eth...)
Show SMILES CCCCCn1cc(C(=O)Cc2cccc(F)c2)c2ccccc12
Show InChI InChI=1S/C21H22FNO/c1-2-3-6-12-23-15-19(18-10-4-5-11-20(18)23)21(24)14-16-8-7-9-17(22)13-16/h4-5,7-11,13,15H,2-3,6,12,14H2,1H3
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91n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from cloned human CB2 receptor


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50170332
PNG
(2-(3-Chloro-phenyl)-1-(1-pentyl-1H-indol-3-yl)-eth...)
Show SMILES CCCCCn1cc(C(=O)Cc2cccc(Cl)c2)c2ccccc12
Show InChI InChI=1S/C21H22ClNO/c1-2-3-6-12-23-15-19(18-10-4-5-11-20(18)23)21(24)14-16-8-7-9-17(22)13-16/h4-5,7-11,13,15H,2-3,6,12,14H2,1H3
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106n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from cloned human CB2 receptor


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50170355
PNG
(2-(3-Chloro-phenyl)-1-(2-methyl-1-pentyl-1H-indol-...)
Show SMILES CCCCCn1c(C)c(C(=O)Cc2cccc(Cl)c2)c2ccccc12
Show InChI InChI=1S/C22H24ClNO/c1-3-4-7-13-24-16(2)22(19-11-5-6-12-20(19)24)21(25)15-17-9-8-10-18(23)14-17/h5-6,8-12,14H,3-4,7,13,15H2,1-2H3
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117n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from CB1 receptor of rat brain


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50170341
PNG
(1-(2-Methyl-1-pentyl-1H-indol-3-yl)-2-phenyl-ethan...)
Show SMILES CCCCCn1c(C)c(C(=O)Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C22H25NO/c1-3-4-10-15-23-17(2)22(19-13-8-9-14-20(19)23)21(24)16-18-11-6-5-7-12-18/h5-9,11-14H,3-4,10,15-16H2,1-2H3
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124n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from CB1 receptor of rat brain


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50170355
PNG
(2-(3-Chloro-phenyl)-1-(2-methyl-1-pentyl-1H-indol-...)
Show SMILES CCCCCn1c(C)c(C(=O)Cc2cccc(Cl)c2)c2ccccc12
Show InChI InChI=1S/C22H24ClNO/c1-3-4-7-13-24-16(2)22(19-11-5-6-12-20(19)24)21(25)15-17-9-8-10-18(23)14-17/h5-6,8-12,14H,3-4,7,13,15H2,1-2H3
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138n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from cloned human CB2 receptor


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50170339
PNG
(1-(1-Pentyl-1H-indol-3-yl)-2-o-tolyl-ethanone | 1-...)
Show SMILES CCCCCn1cc(C(=O)Cc2ccccc2C)c2ccccc12
Show InChI InChI=1S/C22H25NO/c1-3-4-9-14-23-16-20(19-12-7-8-13-21(19)23)22(24)15-18-11-6-5-10-17(18)2/h5-8,10-13,16H,3-4,9,14-15H2,1-2H3
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146n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from cloned human CB2 receptor


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50170338
PNG
(1-(1-Pentyl-1H-indol-3-yl)-2-phenyl-ethanone | 1-(...)
Show SMILES CCCCCn1cc(C(=O)Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H23NO/c1-2-3-9-14-22-16-19(18-12-7-8-13-20(18)22)21(23)15-17-10-5-4-6-11-17/h4-8,10-13,16H,2-3,9,14-15H2,1H3
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159n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from cloned human CB2 receptor


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50170351
PNG
(1-(1-Pentyl-1H-indol-3-yl)-2-p-tolyl-ethanone | 1-...)
Show SMILES CCCCCn1cc(C(=O)Cc2ccc(C)cc2)c2ccccc12
Show InChI InChI=1S/C22H25NO/c1-3-4-7-14-23-16-20(19-8-5-6-9-21(19)23)22(24)15-18-12-10-17(2)11-13-18/h5-6,8-13,16H,3-4,7,14-15H2,1-2H3
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179n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from CB1 receptor of rat brain


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50170341
PNG
(1-(2-Methyl-1-pentyl-1H-indol-3-yl)-2-phenyl-ethan...)
Show SMILES CCCCCn1c(C)c(C(=O)Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C22H25NO/c1-3-4-10-15-23-17(2)22(19-13-8-9-14-20(19)23)21(24)16-18-11-6-5-7-12-18/h5-9,11-14H,3-4,10,15-16H2,1-2H3
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180n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from cloned human CB2 receptor


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50170336
PNG
(2-(3-Fluoro-phenyl)-1-(2-methyl-1-pentyl-1H-indol-...)
Show SMILES CCCCCn1c(C)c(C(=O)Cc2cccc(F)c2)c2ccccc12
Show InChI InChI=1S/C22H24FNO/c1-3-4-7-13-24-16(2)22(19-11-5-6-12-20(19)24)21(25)15-17-9-8-10-18(23)14-17/h5-6,8-12,14H,3-4,7,13,15H2,1-2H3
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182n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from cloned human CB2 receptor


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50170330
PNG
(2-(4-Fluoro-phenyl)-1-(1-pentyl-1H-indol-3-yl)-eth...)
Show SMILES CCCCCn1cc(C(=O)Cc2ccc(F)cc2)c2ccccc12
Show InChI InChI=1S/C21H22FNO/c1-2-3-6-13-23-15-19(18-7-4-5-8-20(18)23)21(24)14-16-9-11-17(22)12-10-16/h4-5,7-12,15H,2-3,6,13-14H2,1H3
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365n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from cloned human CB2 receptor


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50170348
PNG
(2-(4-Chloro-phenyl)-1-(1-pentyl-1H-indol-3-yl)-eth...)
Show SMILES CCCCCn1cc(C(=O)Cc2ccc(Cl)cc2)c2ccccc12
Show InChI InChI=1S/C21H22ClNO/c1-2-3-6-13-23-15-19(18-7-4-5-8-20(18)23)21(24)14-16-9-11-17(22)12-10-16/h4-5,7-12,15H,2-3,6,13-14H2,1H3
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389n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from CB1 receptor of rat brain


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50170330
PNG
(2-(4-Fluoro-phenyl)-1-(1-pentyl-1H-indol-3-yl)-eth...)
Show SMILES CCCCCn1cc(C(=O)Cc2ccc(F)cc2)c2ccccc12
Show InChI InChI=1S/C21H22FNO/c1-2-3-6-13-23-15-19(18-7-4-5-8-20(18)23)21(24)14-16-9-11-17(22)12-10-16/h4-5,7-12,15H,2-3,6,13-14H2,1H3
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422n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from CB1 receptor of rat brain


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50170336
PNG
(2-(3-Fluoro-phenyl)-1-(2-methyl-1-pentyl-1H-indol-...)
Show SMILES CCCCCn1c(C)c(C(=O)Cc2cccc(F)c2)c2ccccc12
Show InChI InChI=1S/C22H24FNO/c1-3-4-7-13-24-16(2)22(19-11-5-6-12-20(19)24)21(25)15-17-9-8-10-18(23)14-17/h5-6,8-12,14H,3-4,7,13,15H2,1-2H3
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430n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from CB1 receptor of rat brain


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50170353
PNG
(2-(4-Methoxy-phenyl)-1-(1-pentyl-1H-indol-3-yl)-et...)
Show SMILES CCCCCn1cc(C(=O)Cc2ccc(OC)cc2)c2ccccc12
Show InChI InChI=1S/C22H25NO2/c1-3-4-7-14-23-16-20(19-8-5-6-9-21(19)23)22(24)15-17-10-12-18(25-2)13-11-17/h5-6,8-13,16H,3-4,7,14-15H2,1-2H3
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444n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from cloned human CB2 receptor


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50170348
PNG
(2-(4-Chloro-phenyl)-1-(1-pentyl-1H-indol-3-yl)-eth...)
Show SMILES CCCCCn1cc(C(=O)Cc2ccc(Cl)cc2)c2ccccc12
Show InChI InChI=1S/C21H22ClNO/c1-2-3-6-13-23-15-19(18-7-4-5-8-20(18)23)21(24)14-16-9-11-17(22)12-10-16/h4-5,7-12,15H,2-3,6,13-14H2,1H3
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498n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from cloned human CB2 receptor


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50170351
PNG
(1-(1-Pentyl-1H-indol-3-yl)-2-p-tolyl-ethanone | 1-...)
Show SMILES CCCCCn1cc(C(=O)Cc2ccc(C)cc2)c2ccccc12
Show InChI InChI=1S/C22H25NO/c1-3-4-7-14-23-16-20(19-8-5-6-9-21(19)23)22(24)15-18-12-10-17(2)11-13-18/h5-6,8-13,16H,3-4,7,14-15H2,1-2H3
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570n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from cloned human CB2 receptor


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50170352
PNG
(2-(4-Methoxy-phenyl)-1-(2-methyl-1-pentyl-1H-indol...)
Show SMILES CCCCCn1c(C)c(C(=O)Cc2ccc(OC)cc2)c2ccccc12
Show InChI InChI=1S/C23H27NO2/c1-4-5-8-15-24-17(2)23(20-9-6-7-10-21(20)24)22(25)16-18-11-13-19(26-3)14-12-18/h6-7,9-14H,4-5,8,15-16H2,1-3H3
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645n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from cloned human CB2 receptor


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50170349
PNG
(2-(4-Bromo-phenyl)-1-(1-pentyl-1H-indol-3-yl)-etha...)
Show SMILES CCCCCn1cc(C(=O)Cc2ccc(Br)cc2)c2ccccc12
Show InChI InChI=1S/C21H22BrNO/c1-2-3-6-13-23-15-19(18-7-4-5-8-20(18)23)21(24)14-16-9-11-17(22)12-10-16/h4-5,7-12,15H,2-3,6,13-14H2,1H3
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657n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from cloned human CB2 receptor


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50170347
PNG
(1-(2-Methyl-1-pentyl-1H-indol-3-yl)-2-p-tolyl-etha...)
Show SMILES CCCCCn1c(C)c(C(=O)Cc2ccc(C)cc2)c2ccccc12
Show InChI InChI=1S/C23H27NO/c1-4-5-8-15-24-18(3)23(20-9-6-7-10-21(20)24)22(25)16-19-13-11-17(2)12-14-19/h6-7,9-14H,4-5,8,15-16H2,1-3H3
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746n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]CP-55,940 from CB1 receptor of rat brain


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
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