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Compile Data Set for Download or QSAR

Found 137 hits with Last Name = 'kim' and Initial = 'su'   
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))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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n/an/a 1.90n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
BindingDB Entry DOI: 10.7270/Q2B56JH2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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n/an/a 5n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1R in Sprague-Dawley rat cerebellar membrane


Bioorg Med Chem 17: 3080-92 (2009)


Article DOI: 10.1016/j.bmc.2009.03.006
BindingDB Entry DOI: 10.7270/Q22V2G0D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50277555
PNG
(Benzyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C25H18Cl3N3O3/c1-15-22(24(32)29-25(33)34-14-16-5-3-2-4-6-16)30-31(21-12-11-19(27)13-20(21)28)23(15)17-7-9-18(26)10-8-17/h2-13H,14H2,1H3,(H,29,32,33)
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n/an/a 17.8n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1R in Sprague-Dawley rat cerebellar membrane


Bioorg Med Chem 17: 3080-92 (2009)


Article DOI: 10.1016/j.bmc.2009.03.006
BindingDB Entry DOI: 10.7270/Q22V2G0D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50277951
PNG
(5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-N-(2,2-d...)
Show SMILES CCC(C)(C)C(=O)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H22Cl3N3O2/c1-5-23(3,4)22(31)27-21(30)19-13(2)20(14-6-8-15(24)9-7-14)29(28-19)18-11-10-16(25)12-17(18)26/h6-12H,5H2,1-4H3,(H,27,30,31)
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n/an/a 21.2n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1R in Sprague-Dawley rat cerebellar membrane


Bioorg Med Chem 17: 3080-92 (2009)


Article DOI: 10.1016/j.bmc.2009.03.006
BindingDB Entry DOI: 10.7270/Q22V2G0D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50277914
PNG
(5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-N-(2-eth...)
Show SMILES CCC(CC)C(=O)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H22Cl3N3O2/c1-4-14(5-2)22(30)27-23(31)20-13(3)21(15-6-8-16(24)9-7-15)29(28-20)19-11-10-17(25)12-18(19)26/h6-12,14H,4-5H2,1-3H3,(H,27,30,31)
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n/an/a 24.8n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1R in Sprague-Dawley rat cerebellar membrane


Bioorg Med Chem 17: 3080-92 (2009)


Article DOI: 10.1016/j.bmc.2009.03.006
BindingDB Entry DOI: 10.7270/Q22V2G0D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50277949
PNG
(5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES CCCC(CCC)C(=O)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H26Cl3N3O2/c1-4-6-17(7-5-2)24(32)29-25(33)22-15(3)23(16-8-10-18(26)11-9-16)31(30-22)21-13-12-19(27)14-20(21)28/h8-14,17H,4-7H2,1-3H3,(H,29,32,33)
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n/an/a 26.9n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1R in Sprague-Dawley rat cerebellar membrane


Bioorg Med Chem 17: 3080-92 (2009)


Article DOI: 10.1016/j.bmc.2009.03.006
BindingDB Entry DOI: 10.7270/Q22V2G0D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50278049
PNG
(5-(4-Chlorophenyl)-N-(cyclohexanecarbonyl)-1-(2,4-...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC(=O)C1CCCCC1
Show InChI InChI=1S/C24H22Cl3N3O2/c1-14-21(24(32)28-23(31)16-5-3-2-4-6-16)29-30(20-12-11-18(26)13-19(20)27)22(14)15-7-9-17(25)10-8-15/h7-13,16H,2-6H2,1H3,(H,28,31,32)
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n/an/a 30.4n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1R in Sprague-Dawley rat cerebellar membrane


Bioorg Med Chem 17: 3080-92 (2009)


Article DOI: 10.1016/j.bmc.2009.03.006
BindingDB Entry DOI: 10.7270/Q22V2G0D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50278000
PNG
(5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC(=O)C(C)(C)C
Show InChI InChI=1S/C22H20Cl3N3O2/c1-12-18(20(29)26-21(30)22(2,3)4)27-28(17-10-9-15(24)11-16(17)25)19(12)13-5-7-14(23)8-6-13/h5-11H,1-4H3,(H,26,29,30)
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n/an/a 32.7n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1R in Sprague-Dawley rat cerebellar membrane


Bioorg Med Chem 17: 3080-92 (2009)


Article DOI: 10.1016/j.bmc.2009.03.006
BindingDB Entry DOI: 10.7270/Q22V2G0D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50278002
PNG
(5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-N-hexano...)
Show SMILES CCCCCC(=O)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H22Cl3N3O2/c1-3-4-5-6-20(30)27-23(31)21-14(2)22(15-7-9-16(24)10-8-15)29(28-21)19-12-11-17(25)13-18(19)26/h7-13H,3-6H2,1-2H3,(H,27,30,31)
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n/an/a 33.5n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1R in Sprague-Dawley rat cerebellar membrane


Bioorg Med Chem 17: 3080-92 (2009)


Article DOI: 10.1016/j.bmc.2009.03.006
BindingDB Entry DOI: 10.7270/Q22V2G0D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50277950
PNG
(5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-N-(2-eth...)
Show SMILES CCCCC(CC)C(=O)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H26Cl3N3O2/c1-4-6-7-16(5-2)24(32)29-25(33)22-15(3)23(17-8-10-18(26)11-9-17)31(30-22)21-13-12-19(27)14-20(21)28/h8-14,16H,4-7H2,1-3H3,(H,29,32,33)
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n/an/a 43.1n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1R in Sprague-Dawley rat cerebellar membrane


Bioorg Med Chem 17: 3080-92 (2009)


Article DOI: 10.1016/j.bmc.2009.03.006
BindingDB Entry DOI: 10.7270/Q22V2G0D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50278003
PNG
(CHEMBL484401 | N-Butyryl-5-(4-chlorophenyl)-1-(2,4...)
Show SMILES CCCC(=O)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H18Cl3N3O2/c1-3-4-18(28)25-21(29)19-12(2)20(13-5-7-14(22)8-6-13)27(26-19)17-10-9-15(23)11-16(17)24/h5-11H,3-4H2,1-2H3,(H,25,28,29)
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n/an/a 43.7n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1R in Sprague-Dawley rat cerebellar membrane


Bioorg Med Chem 17: 3080-92 (2009)


Article DOI: 10.1016/j.bmc.2009.03.006
BindingDB Entry DOI: 10.7270/Q22V2G0D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50277764
PNG
(5-(4-Chlorophenyl)-N-((2-cyclohexylacetamido)methy...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCNC(=O)CC1CCCCC1
Show InChI InChI=1S/C26H27Cl3N4O2/c1-16-24(26(35)31-15-30-23(34)13-17-5-3-2-4-6-17)32-33(22-12-11-20(28)14-21(22)29)25(16)18-7-9-19(27)10-8-18/h7-12,14,17H,2-6,13,15H2,1H3,(H,30,34)(H,31,35)
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n/an/a 46.5n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1R in Sprague-Dawley rat cerebellar membrane


Bioorg Med Chem 17: 3080-92 (2009)


Article DOI: 10.1016/j.bmc.2009.03.006
BindingDB Entry DOI: 10.7270/Q22V2G0D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50277724
PNG
(5-(4-Chlorophenyl)-N-(cyclohexanecarboxamidomethyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCNC(=O)C1CCCCC1
Show InChI InChI=1S/C25H25Cl3N4O2/c1-15-22(25(34)30-14-29-24(33)17-5-3-2-4-6-17)31-32(21-12-11-19(27)13-20(21)28)23(15)16-7-9-18(26)10-8-16/h7-13,17H,2-6,14H2,1H3,(H,29,33)(H,30,34)
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n/an/a 49.2n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1R in Sprague-Dawley rat cerebellar membrane


Bioorg Med Chem 17: 3080-92 (2009)


Article DOI: 10.1016/j.bmc.2009.03.006
BindingDB Entry DOI: 10.7270/Q22V2G0D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50251131
PNG
(4-((4-Bromophenyl)(2-chlorophenyl)methyl)-N-cycloh...)
Show SMILES Clc1ccccc1C(N1CCN(CC1)C(=O)NC1CCCCCC1)c1ccc(Br)cc1
Show InChI InChI=1S/C25H31BrClN3O/c26-20-13-11-19(12-14-20)24(22-9-5-6-10-23(22)27)29-15-17-30(18-16-29)25(31)28-21-7-3-1-2-4-8-21/h5-6,9-14,21,24H,1-4,7-8,15-18H2,(H,28,31)
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n/an/a 49.4n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHOK1 cells by luciferase assay


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
BindingDB Entry DOI: 10.7270/Q2B56JH2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50277952
PNG
(5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-N-(3,3-d...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC(=O)CC(C)(C)C
Show InChI InChI=1S/C23H22Cl3N3O2/c1-13-20(22(31)27-19(30)12-23(2,3)4)28-29(18-10-9-16(25)11-17(18)26)21(13)14-5-7-15(24)8-6-14/h5-11H,12H2,1-4H3,(H,27,30,31)
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n/an/a 53.4n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1R in Sprague-Dawley rat cerebellar membrane


Bioorg Med Chem 17: 3080-92 (2009)


Article DOI: 10.1016/j.bmc.2009.03.006
BindingDB Entry DOI: 10.7270/Q22V2G0D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50251130
PNG
(4-((4-Bromophenyl)(2-chlorophenyl)methyl)-Ncyclohe...)
Show SMILES Clc1ccccc1C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Br)cc1
Show InChI InChI=1S/C24H29BrClN3O/c25-19-12-10-18(11-13-19)23(21-8-4-5-9-22(21)26)28-14-16-29(17-15-28)24(30)27-20-6-2-1-3-7-20/h4-5,8-13,20,23H,1-3,6-7,14-17H2,(H,27,30)
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n/an/a 62.8n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHOK1 cells by luciferase assay


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
BindingDB Entry DOI: 10.7270/Q2B56JH2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50242549
PNG
(4-((2-Chlorophenyl)(4-chlorophenyl)methyl)-N-cyclo...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCCC1)c1ccccc1Cl
Show InChI InChI=1S/C25H31Cl2N3O/c26-20-13-11-19(12-14-20)24(22-9-5-6-10-23(22)27)29-15-17-30(18-16-29)25(31)28-21-7-3-1-2-4-8-21/h5-6,9-14,21,24H,1-4,7-8,15-18H2,(H,28,31)
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n/an/a 66.5n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
BindingDB Entry DOI: 10.7270/Q2B56JH2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50278050
PNG
(5-(4-Chlorophenyl)-N-(cyclopentanecarbonyl)-1-(2,4...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC(=O)C1CCCC1
Show InChI InChI=1S/C23H20Cl3N3O2/c1-13-20(23(31)27-22(30)15-4-2-3-5-15)28-29(19-11-10-17(25)12-18(19)26)21(13)14-6-8-16(24)9-7-14/h6-12,15H,2-5H2,1H3,(H,27,30,31)
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n/an/a 67.2n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1R in Sprague-Dawley rat cerebellar membrane


Bioorg Med Chem 17: 3080-92 (2009)


Article DOI: 10.1016/j.bmc.2009.03.006
BindingDB Entry DOI: 10.7270/Q22V2G0D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50242548
PNG
(4-((2-Chlorophenyl)(4-chlorophenyl)methyl)-N-cyclo...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccccc1Cl
Show InChI InChI=1S/C24H29Cl2N3O/c25-19-12-10-18(11-13-19)23(21-8-4-5-9-22(21)26)28-14-16-29(17-15-28)24(30)27-20-6-2-1-3-7-20/h4-5,8-13,20,23H,1-3,6-7,14-17H2,(H,27,30)
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n/an/a 72.8n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
BindingDB Entry DOI: 10.7270/Q2B56JH2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50277725
PNG
(5-(4-Chlorophenyl)-N-(cycloheptanecarboxamidomethy...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCNC(=O)C1CCCCCC1
Show InChI InChI=1S/C26H27Cl3N4O2/c1-16-23(26(35)31-15-30-25(34)18-6-4-2-3-5-7-18)32-33(22-13-12-20(28)14-21(22)29)24(16)17-8-10-19(27)11-9-17/h8-14,18H,2-7,15H2,1H3,(H,30,34)(H,31,35)
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n/an/a 75.6n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1R in Sprague-Dawley rat cerebellar membrane


Bioorg Med Chem 17: 3080-92 (2009)


Article DOI: 10.1016/j.bmc.2009.03.006
BindingDB Entry DOI: 10.7270/Q22V2G0D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50251131
PNG
(4-((4-Bromophenyl)(2-chlorophenyl)methyl)-N-cycloh...)
Show SMILES Clc1ccccc1C(N1CCN(CC1)C(=O)NC1CCCCCC1)c1ccc(Br)cc1
Show InChI InChI=1S/C25H31BrClN3O/c26-20-13-11-19(12-14-20)24(22-9-5-6-10-23(22)27)29-15-17-30(18-16-29)25(31)28-21-7-3-1-2-4-8-21/h5-6,9-14,21,24H,1-4,7-8,15-18H2,(H,28,31)
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n/an/a 82.3n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
BindingDB Entry DOI: 10.7270/Q2B56JH2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50277592
PNG
(CHEMBL485340 | tert-Butyl 5-(4-chlorophenyl)-1-(2,...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C22H20Cl3N3O3/c1-12-18(20(29)26-21(30)31-22(2,3)4)27-28(17-10-9-15(24)11-16(17)25)19(12)13-5-7-14(23)8-6-13/h5-11H,1-4H3,(H,26,29,30)
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n/an/a 82.5n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1R in Sprague-Dawley rat cerebellar membrane


Bioorg Med Chem 17: 3080-92 (2009)


Article DOI: 10.1016/j.bmc.2009.03.006
BindingDB Entry DOI: 10.7270/Q22V2G0D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50242557
PNG
(4-((4-Chlorophenyl)(2,4-dichlorophenyl)methyl)-N-c...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCCC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H30Cl3N3O/c26-19-9-7-18(8-10-19)24(22-12-11-20(27)17-23(22)28)30-13-15-31(16-14-30)25(32)29-21-5-3-1-2-4-6-21/h7-12,17,21,24H,1-6,13-16H2,(H,29,32)
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n/an/a 89.2n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
BindingDB Entry DOI: 10.7270/Q2B56JH2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50277591
PNG
(Butyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-...)
Show SMILES CCCCOC(=O)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H20Cl3N3O3/c1-3-4-11-31-22(30)26-21(29)19-13(2)20(14-5-7-15(23)8-6-14)28(27-19)18-10-9-16(24)12-17(18)25/h5-10,12H,3-4,11H2,1-2H3,(H,26,29,30)
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n/an/a 99.7n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1R in Sprague-Dawley rat cerebellar membrane


Bioorg Med Chem 17: 3080-92 (2009)


Article DOI: 10.1016/j.bmc.2009.03.006
BindingDB Entry DOI: 10.7270/Q22V2G0D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50277726
PNG
(5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES CC1CCCC(C1)C(=O)NCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H27Cl3N4O2/c1-15-4-3-5-18(12-15)25(34)30-14-31-26(35)23-16(2)24(17-6-8-19(27)9-7-17)33(32-23)22-11-10-20(28)13-21(22)29/h6-11,13,15,18H,3-5,12,14H2,1-2H3,(H,30,34)(H,31,35)
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n/an/a 102n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1R in Sprague-Dawley rat cerebellar membrane


Bioorg Med Chem 17: 3080-92 (2009)


Article DOI: 10.1016/j.bmc.2009.03.006
BindingDB Entry DOI: 10.7270/Q22V2G0D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50251130
PNG
(4-((4-Bromophenyl)(2-chlorophenyl)methyl)-Ncyclohe...)
Show SMILES Clc1ccccc1C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Br)cc1
Show InChI InChI=1S/C24H29BrClN3O/c25-19-12-10-18(11-13-19)23(21-8-4-5-9-22(21)26)28-14-16-29(17-15-28)24(30)27-20-6-2-1-3-7-20/h4-5,8-13,20,23H,1-3,6-7,14-17H2,(H,27,30)
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n/an/a 103n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
BindingDB Entry DOI: 10.7270/Q2B56JH2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50242582
PNG
(4-((4-Chlorophenyl)(2,4-dichlorophenyl)methyl)-N-c...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H28Cl3N3O/c25-18-8-6-17(7-9-18)23(21-11-10-19(26)16-22(21)27)29-12-14-30(15-13-29)24(31)28-20-4-2-1-3-5-20/h6-11,16,20,23H,1-5,12-15H2,(H,28,31)
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n/an/a 104n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
BindingDB Entry DOI: 10.7270/Q2B56JH2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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n/an/a 120n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHOK1 cells by luciferase assay


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
BindingDB Entry DOI: 10.7270/Q2B56JH2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50242566
PNG
(CHEMBL519584 | N-tert-Butyl-4-((2-chlorophenyl)(4-...)
Show SMILES CC(C)(C)NC(=O)N1CCN(CC1)C(c1ccc(Cl)cc1)c1ccccc1Cl
Show InChI InChI=1S/C22H27Cl2N3O/c1-22(2,3)25-21(28)27-14-12-26(13-15-27)20(16-8-10-17(23)11-9-16)18-6-4-5-7-19(18)24/h4-11,20H,12-15H2,1-3H3,(H,25,28)
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n/an/a 122n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
BindingDB Entry DOI: 10.7270/Q2B56JH2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50278052
PNG
(5-(4-Chlorophenyl)-N-(cyclopropanecarbonyl)-1-(2,4...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC(=O)C1CC1
Show InChI InChI=1S/C21H16Cl3N3O2/c1-11-18(21(29)25-20(28)13-2-3-13)26-27(17-9-8-15(23)10-16(17)24)19(11)12-4-6-14(22)7-5-12/h4-10,13H,2-3H2,1H3,(H,25,28,29)
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n/an/a 124n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1R in Sprague-Dawley rat cerebellar membrane


Bioorg Med Chem 17: 3080-92 (2009)


Article DOI: 10.1016/j.bmc.2009.03.006
BindingDB Entry DOI: 10.7270/Q22V2G0D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50278051
PNG
(5-(4-Chlorophenyl)-N-(cyclobutanecarbonyl)-1-(2,4-...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC(=O)C1CCC1
Show InChI InChI=1S/C22H18Cl3N3O2/c1-12-19(22(30)26-21(29)14-3-2-4-14)27-28(18-10-9-16(24)11-17(18)25)20(12)13-5-7-15(23)8-6-13/h5-11,14H,2-4H2,1H3,(H,26,29,30)
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n/an/a 127n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1R in Sprague-Dawley rat cerebellar membrane


Bioorg Med Chem 17: 3080-92 (2009)


Article DOI: 10.1016/j.bmc.2009.03.006
BindingDB Entry DOI: 10.7270/Q22V2G0D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50251132
PNG
(4-((4-Bromophenyl)(2-chlorophenyl)methyl)-N-(cyclo...)
Show SMILES Clc1ccccc1C(N1CCN(CC1)C(=O)NCC1CCCCC1)c1ccc(Br)cc1
Show InChI InChI=1S/C25H31BrClN3O/c26-21-12-10-20(11-13-21)24(22-8-4-5-9-23(22)27)29-14-16-30(17-15-29)25(31)28-18-19-6-2-1-3-7-19/h4-5,8-13,19,24H,1-3,6-7,14-18H2,(H,28,31)
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n/an/a 127n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
BindingDB Entry DOI: 10.7270/Q2B56JH2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50242548
PNG
(4-((2-Chlorophenyl)(4-chlorophenyl)methyl)-N-cyclo...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccccc1Cl
Show InChI InChI=1S/C24H29Cl2N3O/c25-19-12-10-18(11-13-19)23(21-8-4-5-9-22(21)26)28-14-16-29(17-15-28)24(30)27-20-6-2-1-3-7-20/h4-5,8-13,20,23H,1-3,6-7,14-17H2,(H,27,30)
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n/an/a 128n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHOK1 cells by luciferase assay


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
BindingDB Entry DOI: 10.7270/Q2B56JH2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50277456
PNG
(5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-N-(hexyl...)
Show SMILES CCCCCCNC(=O)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H25Cl3N4O2/c1-3-4-5-6-13-28-24(33)29-23(32)21-15(2)22(16-7-9-17(25)10-8-16)31(30-21)20-12-11-18(26)14-19(20)27/h7-12,14H,3-6,13H2,1-2H3,(H2,28,29,32,33)
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n/an/a 138n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1R in Sprague-Dawley rat cerebellar membrane


Bioorg Med Chem 17: 3080-92 (2009)


Article DOI: 10.1016/j.bmc.2009.03.006
BindingDB Entry DOI: 10.7270/Q22V2G0D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50277763
PNG
(5-(4-Chlorophenyl)-N-((2-cyclopentylacetamido)meth...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCNC(=O)CC1CCCC1
Show InChI InChI=1S/C25H25Cl3N4O2/c1-15-23(25(34)30-14-29-22(33)12-16-4-2-3-5-16)31-32(21-11-10-19(27)13-20(21)28)24(15)17-6-8-18(26)9-7-17/h6-11,13,16H,2-5,12,14H2,1H3,(H,29,33)(H,30,34)
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n/an/a 138n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1R in Sprague-Dawley rat cerebellar membrane


Bioorg Med Chem 17: 3080-92 (2009)


Article DOI: 10.1016/j.bmc.2009.03.006
BindingDB Entry DOI: 10.7270/Q22V2G0D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50242601
PNG
(4-((4-Chlorophenyl)(2-(trifluoromethyl)phenyl)-met...)
Show SMILES FC(F)(F)c1ccccc1C(N1CCN(CC1)C(=O)NC1CCCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H31ClF3N3O/c27-20-13-11-19(12-14-20)24(22-9-5-6-10-23(22)26(28,29)30)32-15-17-33(18-16-32)25(34)31-21-7-3-1-2-4-8-21/h5-6,9-14,21,24H,1-4,7-8,15-18H2,(H,31,34)
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n/an/a 141n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
BindingDB Entry DOI: 10.7270/Q2B56JH2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50251132
PNG
(4-((4-Bromophenyl)(2-chlorophenyl)methyl)-N-(cyclo...)
Show SMILES Clc1ccccc1C(N1CCN(CC1)C(=O)NCC1CCCCC1)c1ccc(Br)cc1
Show InChI InChI=1S/C25H31BrClN3O/c26-21-12-10-20(11-13-21)24(22-8-4-5-9-23(22)27)29-14-16-30(17-15-29)25(31)28-18-19-6-2-1-3-7-19/h4-5,8-13,19,24H,1-3,6-7,14-18H2,(H,28,31)
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n/an/a 146n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHOK1 cells by luciferase assay


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
BindingDB Entry DOI: 10.7270/Q2B56JH2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50277554
PNG
(CHEMBL520456 | N-(Benzylcarbamoyl)-5-(4-chlorophen...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC(=O)NCc1ccccc1
Show InChI InChI=1S/C25H19Cl3N4O2/c1-15-22(24(33)30-25(34)29-14-16-5-3-2-4-6-16)31-32(21-12-11-19(27)13-20(21)28)23(15)17-7-9-18(26)10-8-17/h2-13H,14H2,1H3,(H2,29,30,33,34)
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n/an/a 146n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1R in Sprague-Dawley rat cerebellar membrane


Bioorg Med Chem 17: 3080-92 (2009)


Article DOI: 10.1016/j.bmc.2009.03.006
BindingDB Entry DOI: 10.7270/Q22V2G0D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50277723
PNG
(5-(4-Chlorophenyl)-N-(cyclobutanecarboxamidomethyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCNC(=O)C1CCC1
Show InChI InChI=1S/C23H21Cl3N4O2/c1-13-20(23(32)28-12-27-22(31)15-3-2-4-15)29-30(19-10-9-17(25)11-18(19)26)21(13)14-5-7-16(24)8-6-14/h5-11,15H,2-4,12H2,1H3,(H,27,31)(H,28,32)
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n/an/a 150n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1R in Sprague-Dawley rat cerebellar membrane


Bioorg Med Chem 17: 3080-92 (2009)


Article DOI: 10.1016/j.bmc.2009.03.006
BindingDB Entry DOI: 10.7270/Q22V2G0D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50242568
PNG
(4-((4-Chlorophenyl)(o-tolyl)methyl)-N-cycloheptylp...)
Show SMILES Cc1ccccc1C(N1CCN(CC1)C(=O)NC1CCCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H34ClN3O/c1-20-8-6-7-11-24(20)25(21-12-14-22(27)15-13-21)29-16-18-30(19-17-29)26(31)28-23-9-4-2-3-5-10-23/h6-8,11-15,23,25H,2-5,9-10,16-19H2,1H3,(H,28,31)
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n/an/a 151n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
BindingDB Entry DOI: 10.7270/Q2B56JH2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50242537
PNG
(4-((4-Chlorophenyl)(2,3-dichlorophenyl)methyl)-N-c...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCCC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C25H30Cl3N3O/c26-19-12-10-18(11-13-19)24(21-8-5-9-22(27)23(21)28)30-14-16-31(17-15-30)25(32)29-20-6-3-1-2-4-7-20/h5,8-13,20,24H,1-4,6-7,14-17H2,(H,29,32)
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n/an/a 158n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
BindingDB Entry DOI: 10.7270/Q2B56JH2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50278001
PNG
(5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-N-isobut...)
Show SMILES CC(C)C(=O)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H18Cl3N3O2/c1-11(2)20(28)25-21(29)18-12(3)19(13-4-6-14(22)7-5-13)27(26-18)17-9-8-15(23)10-16(17)24/h4-11H,1-3H3,(H,25,28,29)
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n/an/a 161n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1R in Sprague-Dawley rat cerebellar membrane


Bioorg Med Chem 17: 3080-92 (2009)


Article DOI: 10.1016/j.bmc.2009.03.006
BindingDB Entry DOI: 10.7270/Q22V2G0D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50242600
PNG
(4-((4-Chlorophenyl)(2-(trifluoromethyl)phenyl)-met...)
Show SMILES FC(F)(F)c1ccccc1C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H29ClF3N3O/c26-19-12-10-18(11-13-19)23(21-8-4-5-9-22(21)25(27,28)29)31-14-16-32(17-15-31)24(33)30-20-6-2-1-3-7-20/h4-5,8-13,20,23H,1-3,6-7,14-17H2,(H,30,33)
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n/an/a 163n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
BindingDB Entry DOI: 10.7270/Q2B56JH2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50242568
PNG
(4-((4-Chlorophenyl)(o-tolyl)methyl)-N-cycloheptylp...)
Show SMILES Cc1ccccc1C(N1CCN(CC1)C(=O)NC1CCCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H34ClN3O/c1-20-8-6-7-11-24(20)25(21-12-14-22(27)15-13-21)29-16-18-30(19-17-29)26(31)28-23-9-4-2-3-5-10-23/h6-8,11-15,23,25H,2-5,9-10,16-19H2,1H3,(H,28,31)
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n/an/a 163n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHOK1 cells by luciferase assay


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
BindingDB Entry DOI: 10.7270/Q2B56JH2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50277684
PNG
(5-(4-Chlorophenyl)-N-(cyclohexanecarbonyl)-1-(2,4-...)
Show SMILES CN(C(=O)C1CCCCC1)C(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H24Cl3N3O2/c1-15-22(25(33)30(2)24(32)17-6-4-3-5-7-17)29-31(21-13-12-19(27)14-20(21)28)23(15)16-8-10-18(26)11-9-16/h8-14,17H,3-7H2,1-2H3
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n/an/a 167n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1R in Sprague-Dawley rat cerebellar membrane


Bioorg Med Chem 17: 3080-92 (2009)


Article DOI: 10.1016/j.bmc.2009.03.006
BindingDB Entry DOI: 10.7270/Q22V2G0D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50242556
PNG
(4-((4-Chlorophenyl)(2,3-dichlorophenyl)methyl)-N-c...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C24H28Cl3N3O/c25-18-11-9-17(10-12-18)23(20-7-4-8-21(26)22(20)27)29-13-15-30(16-14-29)24(31)28-19-5-2-1-3-6-19/h4,7-12,19,23H,1-3,5-6,13-16H2,(H,28,31)
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n/an/a 186n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
BindingDB Entry DOI: 10.7270/Q2B56JH2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50242600
PNG
(4-((4-Chlorophenyl)(2-(trifluoromethyl)phenyl)-met...)
Show SMILES FC(F)(F)c1ccccc1C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H29ClF3N3O/c26-19-12-10-18(11-13-19)23(21-8-4-5-9-22(21)25(27,28)29)31-14-16-32(17-15-31)24(33)30-20-6-2-1-3-7-20/h4-5,8-13,20,23H,1-3,6-7,14-17H2,(H,30,33)
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n/an/a 186n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHOK1 cells by luciferase assay


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
BindingDB Entry DOI: 10.7270/Q2B56JH2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50242565
PNG
(4-((2-Chlorophenyl)(4-chlorophenyl)methyl)-N-(cycl...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NCC1CCCCC1)c1ccccc1Cl
Show InChI InChI=1S/C25H31Cl2N3O/c26-21-12-10-20(11-13-21)24(22-8-4-5-9-23(22)27)29-14-16-30(17-15-29)25(31)28-18-19-6-2-1-3-7-19/h4-5,8-13,19,24H,1-3,6-7,14-18H2,(H,28,31)
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n/an/a 189n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
BindingDB Entry DOI: 10.7270/Q2B56JH2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50242567
PNG
(4-((4-Chlorophenyl)(o-tolyl)methyl)-N-cyclohexylpi...)
Show SMILES Cc1ccccc1C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H32ClN3O/c1-19-7-5-6-10-23(19)24(20-11-13-21(26)14-12-20)28-15-17-29(18-16-28)25(30)27-22-8-3-2-4-9-22/h5-7,10-14,22,24H,2-4,8-9,15-18H2,1H3,(H,27,30)
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n/an/a 195n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHOK1 cells by luciferase assay


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
BindingDB Entry DOI: 10.7270/Q2B56JH2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50242601
PNG
(4-((4-Chlorophenyl)(2-(trifluoromethyl)phenyl)-met...)
Show SMILES FC(F)(F)c1ccccc1C(N1CCN(CC1)C(=O)NC1CCCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H31ClF3N3O/c27-20-13-11-19(12-14-20)24(22-9-5-6-10-23(22)26(28,29)30)32-15-17-33(18-16-32)25(34)31-21-7-3-1-2-4-8-21/h5-6,9-14,21,24H,1-4,7-8,15-18H2,(H,31,34)
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n/an/a 204n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHOK1 cells by luciferase assay


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
BindingDB Entry DOI: 10.7270/Q2B56JH2
More data for this
Ligand-Target Pair
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