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PubMed code 20031412

Compile data set for download or QSAR
Found 36 hits of Enzyme Inhibition Constant Data   
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))
BDBM50172158
PNG
((S)-N-(1-(4-(4-chloro-2-(2-fluorophenylsulfonyl)ph...)
Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C21H19ClFNO6S3/c1-14(24-31(2,25)26)15-7-10-17(11-8-15)32(27,28)20-12-9-16(22)13-21(20)33(29,30)19-6-4-3-5-18(19)23/h3-14,24H,1-2H3/t14-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309538
PNG
(5-Ethyl-2-methyl-1-phenyl-1H-imidazole-4-carboxyli...)
Show SMILES CCc1c(nc(C)n1-c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:16:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17,16:17:20:24.23.22|
Show InChI InChI=1S/C23H29N3O/c1-3-20-21(24-15(2)26(20)19-7-5-4-6-8-19)22(27)25-23-12-16-9-17(13-23)11-18(10-16)14-23/h4-8,16-18H,3,9-14H2,1-2H3,(H,25,27)
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1.03n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309540
PNG
(2-Ethyl-5-methyl-1-phenyl-1H-imidazole-4-carboxyli...)
Show SMILES CCc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccccc1 |TLB:7:8:11.10.15:13,THB:9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8,7:8:11:15.14.13|
Show InChI InChI=1S/C23H29N3O/c1-3-20-24-21(15(2)26(20)19-7-5-4-6-8-19)22(27)25-23-12-16-9-17(13-23)11-18(10-16)14-23/h4-8,16-18H,3,9-14H2,1-2H3,(H,25,27)
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1.60n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309534
PNG
(2,5-Dimethyl-1-phenyl-1H-imidazole-4-carboxylic ac...)
Show SMILES Cc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccccc1 |THB:12:11:8:14.13.15,12:13:10.11.16:8,15:13:10:16.7.8,15:7:10:14.12.13,6:7:10:14.12.13|
Show InChI InChI=1S/C22H27N3O/c1-14-20(23-15(2)25(14)19-6-4-3-5-7-19)21(26)24-22-11-16-8-17(12-22)10-18(9-16)13-22/h3-7,16-18H,8-13H2,1-2H3,(H,24,26)
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2.70n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309537
PNG
(2,5-dimethyl-1-phenyl-N-(2-(trifluoromethyl)benzyl...)
Show SMILES Cc1nc(C(=O)NCc2ccccc2C(F)(F)F)c(C)n1-c1ccccc1
Show InChI InChI=1S/C20H18F3N3O/c1-13-18(25-14(2)26(13)16-9-4-3-5-10-16)19(27)24-12-15-8-6-7-11-17(15)20(21,22)23/h3-11H,12H2,1-2H3,(H,24,27)
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3.5n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309543
PNG
(5-Bromo-2-methyl-1-phenyl-1H-imidazole-4-carboxyli...)
Show SMILES Cc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(Br)n1-c1ccccc1 |TLB:6:7:10.9.14:12,THB:8:9:12:16.7.15,8:7:10.9.14:12,15:7:10:14.13.12,15:13:10:16.8.7,6:7:10:14.13.12|
Show InChI InChI=1S/C21H24BrN3O/c1-13-23-18(19(22)25(13)17-5-3-2-4-6-17)20(26)24-21-10-14-7-15(11-21)9-16(8-14)12-21/h2-6,14-16H,7-12H2,1H3,(H,24,26)
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8.40n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309536
PNG
(2,5-Dimethyl-1-phenyl-1H-imidazole-4-carboxylic ac...)
Show SMILES Cc1nc(C(=O)NC2C3CC4CC(CC24)C3)c(C)n1-c1ccccc1 |TLB:13:14:15.12.11:9,6:7:15.12.11:9,THB:13:12:9:7.14|
Show InChI InChI=1S/C21H25N3O/c1-12-19(22-13(2)24(12)17-6-4-3-5-7-17)21(25)23-20-16-9-14-8-15(11-16)18(20)10-14/h3-7,14-16,18,20H,8-11H2,1-2H3,(H,23,25)
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9.70n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309539
PNG
(5-Butyl-2-methyl-1-phenyl-1H-imidazole-4-carboxyli...)
Show SMILES CCCCc1c(nc(C)n1-c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 |THB:24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25,18:19:22:26.24.25|
Show InChI InChI=1S/C25H33N3O/c1-3-4-10-22-23(26-17(2)28(22)21-8-6-5-7-9-21)24(29)27-25-14-18-11-19(15-25)13-20(12-18)16-25/h5-9,18-20H,3-4,10-16H2,1-2H3,(H,27,29)
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9.80n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309544
PNG
(2-Methyl-5-methylsulfanyl-1-phenyl-1H-imidazole-4-...)
Show SMILES CSc1c(nc(C)n1-c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:16:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17,16:17:20:24.23.22|
Show InChI InChI=1S/C22H27N3OS/c1-14-23-19(21(27-2)25(14)18-6-4-3-5-7-18)20(26)24-22-11-15-8-16(12-22)10-17(9-15)13-22/h3-7,15-17H,8-13H2,1-2H3,(H,24,26)
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10n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309541
PNG
(2-Ethyl-1-phenyl-1H-imidazole-4-carboxylic acid ad...)
Show SMILES CCc1nc(cn1-c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:15:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16,15:16:19:23.22.21|
Show InChI InChI=1S/C22H27N3O/c1-2-20-23-19(14-25(20)18-6-4-3-5-7-18)21(26)24-22-11-15-8-16(12-22)10-17(9-15)13-22/h3-7,14-17H,2,8-13H2,1H3,(H,24,26)
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12.7n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309535
PNG
(2,5-Dimethyl-1-phenyl-1H-imidazole-4-carboxylic ac...)
Show SMILES Cc1nc(C(=O)NC2C3CC4CC(C3)CC2C4)c(C)n1-c1ccccc1 |TLB:13:12:16:9.8.7,13:8:11.12.14:16,THB:7:8:11:14.15.16,7:15:11:9.13.8,6:7:11.12.14:16,(26.56,-11.41,;28.02,-10.93,;28.49,-9.46,;30.03,-9.46,;30.81,-8.13,;30.05,-6.79,;32.36,-8.13,;33.63,-9,;35.05,-8.44,;35.9,-9.6,;35.95,-11.01,;37.58,-11.64,;36.63,-10.41,;36.62,-8.9,;35.15,-11.01,;33.63,-10.51,;34.57,-11.58,;30.51,-10.92,;31.98,-11.39,;29.27,-11.83,;29.28,-13.38,;27.95,-14.15,;27.95,-15.69,;29.28,-16.46,;30.62,-15.69,;30.61,-14.14,)|
Show InChI InChI=1S/C22H27N3O/c1-13-20(23-14(2)25(13)19-6-4-3-5-7-19)22(26)24-21-17-9-15-8-16(11-17)12-18(21)10-15/h3-7,15-18,21H,8-12H2,1-2H3,(H,24,26)
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13.8n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309546
PNG
(1-Cyclohexyl-2,5-dimethyl-1H-imidazole-4-carboxyli...)
Show SMILES Cc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(C)n1C1CCCCC1 |TLB:6:7:10.9.14:12,THB:8:9:12:16.7.15,8:7:10.9.14:12,15:7:10:14.13.12,15:13:10:16.8.7,6:7:10:14.13.12|
Show InChI InChI=1S/C22H33N3O/c1-14-20(23-15(2)25(14)19-6-4-3-5-7-19)21(26)24-22-11-16-8-17(12-22)10-18(9-16)13-22/h16-19H,3-13H2,1-2H3,(H,24,26)
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20n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309533
PNG
(CHEMBL599070 | N-(((cis)-6,6-dimethylbicyclo[3.1.1...)
Show SMILES Cc1nc(C(=O)NC[C@H]2C[C@@H]3C[C@H](C2)C3(C)C)c(C)n1-c1ccccc1 |r|
Show InChI InChI=1S/C22H29N3O/c1-14-20(24-15(2)25(14)19-8-6-5-7-9-19)21(26)23-13-16-10-17-12-18(11-16)22(17,3)4/h5-9,16-18H,10-13H2,1-4H3,(H,23,26)/t16-,17+,18-
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20n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180022
PNG
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1 |THB:21:22:26.25:28|
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)
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21n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309542
PNG
(5-Chloro-2-methyl-1-phenyl-1H-imidazole-4-carboxyl...)
Show SMILES Cc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(Cl)n1-c1ccccc1 |TLB:6:7:10.9.14:12,THB:8:9:12:16.7.15,8:7:10.9.14:12,15:7:10:14.13.12,15:13:10:16.8.7,6:7:10:14.13.12|
Show InChI InChI=1S/C21H24ClN3O/c1-13-23-18(19(22)25(13)17-5-3-2-4-6-17)20(26)24-21-10-14-7-15(11-21)9-16(8-14)12-21/h2-6,14-16H,7-12H2,1H3,(H,24,26)
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23.8n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309545
PNG
(2,5-Dichloro-1-phenyl-1H-imidazole-4-carboxylic ac...)
Show SMILES Clc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(Cl)n1-c1ccccc1 |TLB:6:7:10.9.14:12,THB:8:9:12:16.7.15,8:7:10.9.14:12,15:7:10:14.13.12,15:13:10:16.8.7,6:7:10:14.13.12|
Show InChI InChI=1S/C20H21Cl2N3O/c21-17-16(23-19(22)25(17)15-4-2-1-3-5-15)18(26)24-20-9-12-6-13(10-20)8-14(7-12)11-20/h1-5,12-14H,6-11H2,(H,24,26)
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50n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM85739
PNG
(CHEMBL178372 | JTE-907 | N-(1,3-Benzodioxole-5-ylm...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCc3ccc4OCOc4c3)c(=O)[nH]c12
Show InChI InChI=1S/C24H26N2O6/c1-3-4-5-10-30-22-19(29-2)9-7-16-12-17(24(28)26-21(16)22)23(27)25-13-15-6-8-18-20(11-15)32-14-31-18/h6-9,11-12H,3-5,10,13-14H2,1-2H3,(H,25,27)(H,26,28)
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130n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309532
PNG
(CHEMBL603476 | N-(((cis)-6,6-dimethylbicyclo[3.1.1...)
Show SMILES Cc1c(ncn1-c1ccccc1)C(=O)NC[C@H]1C[C@@H]2C[C@H](C1)C2(C)C |r|
Show InChI InChI=1S/C21H27N3O/c1-14-19(23-13-24(14)18-7-5-4-6-8-18)20(25)22-12-15-9-16-11-17(10-15)21(16,2)3/h4-8,13,15-17H,9-12H2,1-3H3,(H,22,25)/t15-,16+,17-
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175n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309545
PNG
(2,5-Dichloro-1-phenyl-1H-imidazole-4-carboxylic ac...)
Show SMILES Clc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(Cl)n1-c1ccccc1 |TLB:6:7:10.9.14:12,THB:8:9:12:16.7.15,8:7:10.9.14:12,15:7:10:14.13.12,15:13:10:16.8.7,6:7:10:14.13.12|
Show InChI InChI=1S/C20H21Cl2N3O/c21-17-16(23-19(22)25(17)15-4-2-1-3-5-15)18(26)24-20-9-12-6-13(10-20)8-14(7-12)11-20/h1-5,12-14H,6-11H2,(H,24,26)
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>1.00E+3n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50180022
PNG
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1 |THB:21:22:26.25:28|
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)
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>1.00E+3n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309541
PNG
(2-Ethyl-1-phenyl-1H-imidazole-4-carboxylic acid ad...)
Show SMILES CCc1nc(cn1-c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:15:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16,15:16:19:23.22.21|
Show InChI InChI=1S/C22H27N3O/c1-2-20-23-19(14-25(20)18-6-4-3-5-7-18)21(26)24-22-11-15-8-16(12-22)10-17(9-15)13-22/h3-7,14-17H,2,8-13H2,1H3,(H,24,26)
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>1.00E+3n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309537
PNG
(2,5-dimethyl-1-phenyl-N-(2-(trifluoromethyl)benzyl...)
Show SMILES Cc1nc(C(=O)NCc2ccccc2C(F)(F)F)c(C)n1-c1ccccc1
Show InChI InChI=1S/C20H18F3N3O/c1-13-18(25-14(2)26(13)16-9-4-3-5-10-16)19(27)24-12-15-8-6-7-11-17(15)20(21,22)23/h3-11H,12H2,1-2H3,(H,24,27)
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1.42E+3n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309539
PNG
(5-Butyl-2-methyl-1-phenyl-1H-imidazole-4-carboxyli...)
Show SMILES CCCCc1c(nc(C)n1-c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 |THB:24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25,18:19:22:26.24.25|
Show InChI InChI=1S/C25H33N3O/c1-3-4-10-22-23(26-17(2)28(22)21-8-6-5-7-9-21)24(29)27-25-14-18-11-19(15-25)13-20(12-18)16-25/h5-9,18-20H,3-4,10-16H2,1-2H3,(H,27,29)
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2.00E+3n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309535
PNG
(2,5-Dimethyl-1-phenyl-1H-imidazole-4-carboxylic ac...)
Show SMILES Cc1nc(C(=O)NC2C3CC4CC(C3)CC2C4)c(C)n1-c1ccccc1 |TLB:13:12:16:9.8.7,13:8:11.12.14:16,THB:7:8:11:14.15.16,7:15:11:9.13.8,6:7:11.12.14:16,(26.56,-11.41,;28.02,-10.93,;28.49,-9.46,;30.03,-9.46,;30.81,-8.13,;30.05,-6.79,;32.36,-8.13,;33.63,-9,;35.05,-8.44,;35.9,-9.6,;35.95,-11.01,;37.58,-11.64,;36.63,-10.41,;36.62,-8.9,;35.15,-11.01,;33.63,-10.51,;34.57,-11.58,;30.51,-10.92,;31.98,-11.39,;29.27,-11.83,;29.28,-13.38,;27.95,-14.15,;27.95,-15.69,;29.28,-16.46,;30.62,-15.69,;30.61,-14.14,)|
Show InChI InChI=1S/C22H27N3O/c1-13-20(23-14(2)25(13)19-6-4-3-5-7-19)22(26)24-21-17-9-15-8-16(11-17)12-18(21)10-15/h3-7,15-18,21H,8-12H2,1-2H3,(H,24,26)
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3.01E+3n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50172158
PNG
((S)-N-(1-(4-(4-chloro-2-(2-fluorophenylsulfonyl)ph...)
Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C21H19ClFNO6S3/c1-14(24-31(2,25)26)15-7-10-17(11-8-15)32(27,28)20-12-9-16(22)13-21(20)33(29,30)19-6-4-3-5-18(19)23/h3-14,24H,1-2H3/t14-/m0/s1
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3.54E+3n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM85739
PNG
(CHEMBL178372 | JTE-907 | N-(1,3-Benzodioxole-5-ylm...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCc3ccc4OCOc4c3)c(=O)[nH]c12
Show InChI InChI=1S/C24H26N2O6/c1-3-4-5-10-30-22-19(29-2)9-7-16-12-17(24(28)26-21(16)22)23(27)25-13-15-6-8-18-20(11-15)32-14-31-18/h6-9,11-12H,3-5,10,13-14H2,1-2H3,(H,25,27)(H,26,28)
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3.92E+3n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309533
PNG
(CHEMBL599070 | N-(((cis)-6,6-dimethylbicyclo[3.1.1...)
Show SMILES Cc1nc(C(=O)NC[C@H]2C[C@@H]3C[C@H](C2)C3(C)C)c(C)n1-c1ccccc1 |r|
Show InChI InChI=1S/C22H29N3O/c1-14-20(24-15(2)25(14)19-8-6-5-7-9-19)21(26)23-13-16-10-17-12-18(11-16)22(17,3)4/h5-9,16-18H,10-13H2,1-4H3,(H,23,26)/t16-,17+,18-
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4.00E+3n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309540
PNG
(2-Ethyl-5-methyl-1-phenyl-1H-imidazole-4-carboxyli...)
Show SMILES CCc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccccc1 |TLB:7:8:11.10.15:13,THB:9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8,7:8:11:15.14.13|
Show InChI InChI=1S/C23H29N3O/c1-3-20-24-21(15(2)26(20)19-7-5-4-6-8-19)22(27)25-23-12-16-9-17(13-23)11-18(10-16)14-23/h4-8,16-18H,3,9-14H2,1-2H3,(H,25,27)
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4.15E+3n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309534
PNG
(2,5-Dimethyl-1-phenyl-1H-imidazole-4-carboxylic ac...)
Show SMILES Cc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccccc1 |THB:12:11:8:14.13.15,12:13:10.11.16:8,15:13:10:16.7.8,15:7:10:14.12.13,6:7:10:14.12.13|
Show InChI InChI=1S/C22H27N3O/c1-14-20(23-15(2)25(14)19-6-4-3-5-7-19)21(26)24-22-11-16-8-17(12-22)10-18(9-16)13-22/h3-7,16-18H,8-13H2,1-2H3,(H,24,26)
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4.89E+3n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309536
PNG
(2,5-Dimethyl-1-phenyl-1H-imidazole-4-carboxylic ac...)
Show SMILES Cc1nc(C(=O)NC2C3CC4CC(CC24)C3)c(C)n1-c1ccccc1 |TLB:13:14:15.12.11:9,6:7:15.12.11:9,THB:13:12:9:7.14|
Show InChI InChI=1S/C21H25N3O/c1-12-19(22-13(2)24(12)17-6-4-3-5-7-17)21(25)23-20-16-9-14-8-15(11-16)18(20)10-14/h3-7,14-16,18,20H,8-11H2,1-2H3,(H,23,25)
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5.44E+3n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309543
PNG
(5-Bromo-2-methyl-1-phenyl-1H-imidazole-4-carboxyli...)
Show SMILES Cc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(Br)n1-c1ccccc1 |TLB:6:7:10.9.14:12,THB:8:9:12:16.7.15,8:7:10.9.14:12,15:7:10:14.13.12,15:13:10:16.8.7,6:7:10:14.13.12|
Show InChI InChI=1S/C21H24BrN3O/c1-13-23-18(19(22)25(13)17-5-3-2-4-6-17)20(26)24-21-10-14-7-15(11-21)9-16(8-14)12-21/h2-6,14-16H,7-12H2,1H3,(H,24,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309542
PNG
(5-Chloro-2-methyl-1-phenyl-1H-imidazole-4-carboxyl...)
Show SMILES Cc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(Cl)n1-c1ccccc1 |TLB:6:7:10.9.14:12,THB:8:9:12:16.7.15,8:7:10.9.14:12,15:7:10:14.13.12,15:13:10:16.8.7,6:7:10:14.13.12|
Show InChI InChI=1S/C21H24ClN3O/c1-13-23-18(19(22)25(13)17-5-3-2-4-6-17)20(26)24-21-10-14-7-15(11-21)9-16(8-14)12-21/h2-6,14-16H,7-12H2,1H3,(H,24,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309546
PNG
(1-Cyclohexyl-2,5-dimethyl-1H-imidazole-4-carboxyli...)
Show SMILES Cc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(C)n1C1CCCCC1 |TLB:6:7:10.9.14:12,THB:8:9:12:16.7.15,8:7:10.9.14:12,15:7:10:14.13.12,15:13:10:16.8.7,6:7:10:14.13.12|
Show InChI InChI=1S/C22H33N3O/c1-14-20(23-15(2)25(14)19-6-4-3-5-7-19)21(26)24-22-11-16-8-17(12-22)10-18(9-16)13-22/h16-19H,3-13H2,1-2H3,(H,24,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309538
PNG
(5-Ethyl-2-methyl-1-phenyl-1H-imidazole-4-carboxyli...)
Show SMILES CCc1c(nc(C)n1-c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:16:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17,16:17:20:24.23.22|
Show InChI InChI=1S/C23H29N3O/c1-3-20-21(24-15(2)26(20)19-7-5-4-6-8-19)22(27)25-23-12-16-9-17(13-23)11-18(10-16)14-23/h4-8,16-18H,3,9-14H2,1-2H3,(H,25,27)
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>1.00E+4n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309544
PNG
(2-Methyl-5-methylsulfanyl-1-phenyl-1H-imidazole-4-...)
Show SMILES CSc1c(nc(C)n1-c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:16:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17,16:17:20:24.23.22|
Show InChI InChI=1S/C22H27N3OS/c1-14-23-19(21(27-2)25(14)18-6-4-3-5-7-18)20(26)24-22-11-15-8-16(12-22)10-17(9-15)13-22/h3-7,15-17H,8-13H2,1-2H3,(H,24,26)
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309532
PNG
(CHEMBL603476 | N-(((cis)-6,6-dimethylbicyclo[3.1.1...)
Show SMILES Cc1c(ncn1-c1ccccc1)C(=O)NC[C@H]1C[C@@H]2C[C@H](C1)C2(C)C |r|
Show InChI InChI=1S/C21H27N3O/c1-14-19(23-13-24(14)18-7-5-4-6-8-18)20(25)22-12-15-9-16-11-17(10-15)21(16,2)3/h4-8,13,15-17H,9-12H2,1-3H3,(H,22,25)/t15-,16+,17-
PDB

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UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%