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Compile Data Set for Download or QSAR

Found 287 hits with Last Name = 'wals' and Initial = 'hc'   
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))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r|
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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0.620n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
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
BindingDB Entry DOI: 10.7270/Q22J6CTB
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
BindingDB Entry DOI: 10.7270/Q22J6CTB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r|
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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1.36n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
BindingDB Entry DOI: 10.7270/Q22J6CTB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50312822
PNG
((R)-1-(4-chlorophenyl)-N-methyl-5-phenyl-N'-(4-(tr...)
Show SMILES CNC(=NS(=O)(=O)N1CCC(CC1)C(F)(F)F)C1=NN([C@H](C1)c1ccccc1)c1ccc(Cl)cc1 |r,w:3.3,t:18|
Show InChI InChI=1S/C23H25ClF3N5O2S/c1-28-22(30-35(33,34)31-13-11-17(12-14-31)23(25,26)27)20-15-21(16-5-3-2-4-6-16)32(29-20)19-9-7-18(24)8-10-19/h2-10,17,21H,11-15H2,1H3,(H,28,30)/t21-/m1/s1
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2n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 1752-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.049
BindingDB Entry DOI: 10.7270/Q2736RWV
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
BindingDB Entry DOI: 10.7270/Q22J6CTB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50325599
PNG
(3-Pentyl-4-phenyl-4,5-dihydro-pyrazole-1-carboxyli...)
Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NC(C)(C)c1ccccc1 |t:5|
Show InChI InChI=1S/C24H31N3O/c1-4-5-8-17-22-21(19-13-9-6-10-14-19)18-27(26-22)23(28)25-24(2,3)20-15-11-7-12-16-20/h6-7,9-16,21H,4-5,8,17-18H2,1-3H3,(H,25,28)
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3.26n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50325587
PNG
(3-butyl-5,5-dimethyl-4-phenyl-N-((1R,2S,4R)-1,7,7-...)
Show SMILES CCCCC1=NN(C(=O)N[C@H]2C[C@H]3CC[C@]2(C)C3(C)C)C(C)(C)C1c1ccccc1 |r,t:4|
Show InChI InChI=1S/C26H39N3O/c1-7-8-14-20-22(18-12-10-9-11-13-18)25(4,5)29(28-20)23(30)27-21-17-19-15-16-26(21,6)24(19,2)3/h9-13,19,21-22H,7-8,14-17H2,1-6H3,(H,27,30)/t19-,21+,22?,26+/m1/s1
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3.40n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
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
BindingDB Entry DOI: 10.7270/Q22J6CTB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50325590
PNG
(1-pentyl-5-phenyl-N-((1R,2S,4R)-1,7,7-trimethylbic...)
Show SMILES CCCCCN1N=C(CC1c1ccccc1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C |r,c:6,THB:18:19:26:22.23|
Show InChI InChI=1S/C25H37N3O/c1-5-6-10-15-28-21(18-11-8-7-9-12-18)17-20(27-28)23(29)26-22-16-19-13-14-25(22,4)24(19,2)3/h7-9,11-12,19,21-22H,5-6,10,13-17H2,1-4H3,(H,26,29)/t19-,21?,22+,25+/m1/s1
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4.70n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50312833
PNG
((S)-3-(4-chlorophenyl)-N-methyl-4-phenyl-N'-(4-(tr...)
Show SMILES CNC(=NS(=O)(=O)N1CCC(CC1)C(F)(F)F)N1C[C@@H](C(=N1)c1ccc(Cl)cc1)c1ccccc1 |r,w:3.3,c:21|
Show InChI InChI=1S/C23H25ClF3N5O2S/c1-28-22(30-35(33,34)31-13-11-18(12-14-31)23(25,26)27)32-15-20(16-5-3-2-4-6-16)21(29-32)17-7-9-19(24)10-8-17/h2-10,18,20H,11-15H2,1H3,(H,28,30)/t20-/m1/s1
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4.70n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 1752-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.049
BindingDB Entry DOI: 10.7270/Q2736RWV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50325584
PNG
((+)-3-pentyl-4-phenyl-N-((1R,2S,4S)-1,7,7-trimethy...)
Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C |r,t:5|
Show InChI InChI=1S/C25H37N3O/c1-5-6-8-13-21-20(18-11-9-7-10-12-18)17-28(27-21)23(29)26-22-16-19-14-15-25(22,4)24(19,2)3/h7,9-12,19-20,22H,5-6,8,13-17H2,1-4H3,(H,26,29)/t19-,20?,22+,25+/m1/s1
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5.30n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50325591
PNG
(5-(2-fluorophenyl)-1-pentyl-N-((1R,2S,4R)-1,7,7-tr...)
Show SMILES CCCCCN1N=C(CC1c1ccccc1F)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C |r,c:6,THB:19:20:27:23.24|
Show InChI InChI=1S/C25H36FN3O/c1-5-6-9-14-29-21(18-10-7-8-11-19(18)26)16-20(28-29)23(30)27-22-15-17-12-13-25(22,4)24(17,2)3/h7-8,10-11,17,21-22H,5-6,9,12-16H2,1-4H3,(H,27,30)/t17-,21?,22+,25+/m1/s1
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6.10n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50325597
PNG
(3-Pentyl-4-phenyl-4,5-dihydro-pyraz ole-1-carboxyl...)
Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NC1C2CC3CC(C2)CC1C3 |t:5,TLB:28:27:25:21.22.23,THB:28:22:19.27.26:25,23:22:19:26.24.25,23:24:19:21.28.22,18:19:25:21.22.23,(10.83,-.95,;12.36,-.79,;13.27,-2.03,;14.8,-1.87,;15.71,-3.12,;17.24,-2.96,;18.27,-4.1,;19.67,-3.48,;19.51,-1.94,;18.01,-1.62,;17.38,-.22,;18.29,1.03,;17.66,2.44,;16.13,2.6,;15.22,1.35,;15.85,-.06,;21.01,-4.25,;21.01,-5.79,;22.34,-3.47,;23.84,-3.82,;25.59,-3.75,;26.2,-5.02,;27.44,-5.75,;28.52,-4.67,;27.92,-3.29,;26.63,-2.68,;26.32,-3.44,;25.21,-4.58,;25.82,-5.96,)|
Show InChI InChI=1S/C25H35N3O/c1-2-3-5-10-23-22(19-8-6-4-7-9-19)16-28(27-23)25(29)26-24-20-12-17-11-18(14-20)15-21(24)13-17/h4,6-9,17-18,20-22,24H,2-3,5,10-16H2,1H3,(H,26,29)
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6.30n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50325597
PNG
(3-Pentyl-4-phenyl-4,5-dihydro-pyraz ole-1-carboxyl...)
Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NC1C2CC3CC(C2)CC1C3 |t:5,TLB:28:27:25:21.22.23,THB:28:22:19.27.26:25,23:22:19:26.24.25,23:24:19:21.28.22,18:19:25:21.22.23,(10.83,-.95,;12.36,-.79,;13.27,-2.03,;14.8,-1.87,;15.71,-3.12,;17.24,-2.96,;18.27,-4.1,;19.67,-3.48,;19.51,-1.94,;18.01,-1.62,;17.38,-.22,;18.29,1.03,;17.66,2.44,;16.13,2.6,;15.22,1.35,;15.85,-.06,;21.01,-4.25,;21.01,-5.79,;22.34,-3.47,;23.84,-3.82,;25.59,-3.75,;26.2,-5.02,;27.44,-5.75,;28.52,-4.67,;27.92,-3.29,;26.63,-2.68,;26.32,-3.44,;25.21,-4.58,;25.82,-5.96,)|
Show InChI InChI=1S/C25H35N3O/c1-2-3-5-10-23-22(19-8-6-4-7-9-19)16-28(27-23)25(29)26-24-20-12-17-11-18(14-20)15-21(24)13-17/h4,6-9,17-18,20-22,24H,2-3,5,10-16H2,1H3,(H,26,29)
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6.40n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50325588
PNG
(1-Pentyl-5-phenyl-4,5-dihydro-1H-pyrazole-3-carbox...)
Show SMILES CCCCCN1N=C(CC1c1ccccc1)C(=O)NC1C2CC3CC(C2)CC1C3 |c:6,TLB:25:24:28:21.20.19,25:20:23.24.26:28,THB:19:20:23:26.27.28,19:27:23:21.25.20,18:19:23.24.26:28,(-3.84,1.82,;-2.42,1.21,;-2.25,-.31,;-.85,-.92,;-.67,-2.44,;.73,-3.05,;1.06,-4.55,;2.6,-4.7,;3.23,-3.3,;2.07,-2.26,;2.22,-.73,;3.64,-.09,;3.79,1.45,;2.53,2.36,;1.1,1.71,;.96,.17,;3.36,-6.02,;2.6,-7.35,;4.9,-6.02,;6.11,-6.95,;7.55,-6.46,;8.33,-7.66,;8.3,-9.07,;9.89,-9.77,;9.01,-8.5,;9.08,-7,;7.52,-9.02,;6.03,-8.45,;6.91,-9.56,)|
Show InChI InChI=1S/C25H35N3O/c1-2-3-7-10-28-23(19-8-5-4-6-9-19)16-22(27-28)25(29)26-24-20-12-17-11-18(14-20)15-21(24)13-17/h4-6,8-9,17-18,20-21,23-24H,2-3,7,10-16H2,1H3,(H,26,29)
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7.10n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50325592
PNG
(3-Pentyl-4-phenyl-4,5-dihydro-pyrazole-1-carboxyli...)
Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)Nc1cccc2ccccc12 |t:5|
Show InChI InChI=1S/C25H27N3O/c1-2-3-5-16-24-22(20-11-6-4-7-12-20)18-28(27-24)25(29)26-23-17-10-14-19-13-8-9-15-21(19)23/h4,6-15,17,22H,2-3,5,16,18H2,1H3,(H,26,29)
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7.40n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50325584
PNG
((+)-3-pentyl-4-phenyl-N-((1R,2S,4S)-1,7,7-trimethy...)
Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C |r,t:5|
Show InChI InChI=1S/C25H37N3O/c1-5-6-8-13-21-20(18-11-9-7-10-12-18)17-28(27-21)23(29)26-22-16-19-14-15-25(22,4)24(19,2)3/h7,9-12,19-20,22H,5-6,8,13-17H2,1-4H3,(H,26,29)/t19-,20?,22+,25+/m1/s1
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7.40n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50312831
PNG
(3-(4-chlorophenyl)-N'-(4-fluoropiperidin-1-ylsulfo...)
Show SMILES CNC(=NS(=O)(=O)N1CCC(F)CC1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:3.3,c:18|
Show InChI InChI=1S/C22H25ClFN5O2S/c1-25-22(27-32(30,31)28-13-11-19(24)12-14-28)29-15-20(16-5-3-2-4-6-16)21(26-29)17-7-9-18(23)10-8-17/h2-10,19-20H,11-15H2,1H3,(H,25,27)
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7.5n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 1752-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.049
BindingDB Entry DOI: 10.7270/Q2736RWV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50312821
PNG
((S)-1-(4-chlorophenyl)-N-methyl-5-phenyl-N'-(4-(tr...)
Show SMILES CNC(=NS(=O)(=O)N1CCC(CC1)C(F)(F)F)C1=NN([C@@H](C1)c1ccccc1)c1ccc(Cl)cc1 |r,w:3.3,t:18|
Show InChI InChI=1S/C23H25ClF3N5O2S/c1-28-22(30-35(33,34)31-13-11-17(12-14-31)23(25,26)27)20-15-21(16-5-3-2-4-6-16)32(29-20)19-9-7-18(24)8-10-19/h2-10,17,21H,11-15H2,1H3,(H,28,30)/t21-/m0/s1
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7.60n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 1752-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.049
BindingDB Entry DOI: 10.7270/Q2736RWV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50230537
PNG
((S)-3-(4-chlorophenyl)-N'-(4-chlorophenylsulfonyl)...)
Show SMILES CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1C[C@@H](C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:18|
Show InChI InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)/t21-/m1/s1
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7.80n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of CP-55,940 binding from recombinant human cannabinoid receptor 1 expressed in CHO cells


J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50325595
PNG
(3-Pentyl-4-phenyl-4,5-dihydro-pyrazole-1-carboxyli...)
Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NCC12CC3CC(CC(C3)C1)C2 |t:5,THB:19:20:23:27.25.26,25:24:21:27.26.28,25:26:23.24.29:21,28:26:23:29.20.21,28:20:23:27.25.26|
Show InChI InChI=1S/C26H37N3O/c1-2-3-5-10-24-23(22-8-6-4-7-9-22)17-29(28-24)25(30)27-18-26-14-19-11-20(15-26)13-21(12-19)16-26/h4,6-9,19-21,23H,2-3,5,10-18H2,1H3,(H,27,30)
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8n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50325584
PNG
((+)-3-pentyl-4-phenyl-N-((1R,2S,4S)-1,7,7-trimethy...)
Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C |r,t:5|
Show InChI InChI=1S/C25H37N3O/c1-5-6-8-13-21-20(18-11-9-7-10-12-18)17-28(27-21)23(29)26-22-16-19-14-15-25(22,4)24(19,2)3/h7,9-12,19-20,22H,5-6,8,13-17H2,1-4H3,(H,26,29)/t19-,20?,22+,25+/m1/s1
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8.30n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
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
BindingDB Entry DOI: 10.7270/Q22J6CTB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50325586
PNG
(3-butyl-5,5-dimethyl-4-phenyl-N-(2-phenylpropan-2-...)
Show SMILES CCCCC1=NN(C(=O)NC(C)(C)c2ccccc2)C(C)(C)C1c1ccccc1 |t:4|
Show InChI InChI=1S/C25H33N3O/c1-6-7-18-21-22(19-14-10-8-11-15-19)25(4,5)28(27-21)23(29)26-24(2,3)20-16-12-9-13-17-20/h8-17,22H,6-7,18H2,1-5H3,(H,26,29)
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9n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50325591
PNG
(5-(2-fluorophenyl)-1-pentyl-N-((1R,2S,4R)-1,7,7-tr...)
Show SMILES CCCCCN1N=C(CC1c1ccccc1F)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C |r,c:6,THB:19:20:27:23.24|
Show InChI InChI=1S/C25H36FN3O/c1-5-6-9-14-29-21(18-10-7-8-11-19(18)26)16-20(28-29)23(30)27-22-15-17-12-13-25(22,4)24(17,2)3/h7-8,10-11,17,21-22H,5-6,9,12-16H2,1-4H3,(H,27,30)/t17-,21?,22+,25+/m1/s1
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9.10n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
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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9.10n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50312820
PNG
((R)-1-(4-chlorophenyl)-N'-(4,4-difluoropiperidin-1...)
Show SMILES CNC(=NS(=O)(=O)N1CCC(F)(F)CC1)C1=NN([C@H](C1)c1ccccc1)c1ccc(Cl)cc1 |r,w:3.3,t:16|
Show InChI InChI=1S/C22H24ClF2N5O2S/c1-26-21(28-33(31,32)29-13-11-22(24,25)12-14-29)19-15-20(16-5-3-2-4-6-16)30(27-19)18-9-7-17(23)8-10-18/h2-10,20H,11-15H2,1H3,(H,26,28)/t20-/m1/s1
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9.20n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 1752-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.049
BindingDB Entry DOI: 10.7270/Q2736RWV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50325588
PNG
(1-Pentyl-5-phenyl-4,5-dihydro-1H-pyrazole-3-carbox...)
Show SMILES CCCCCN1N=C(CC1c1ccccc1)C(=O)NC1C2CC3CC(C2)CC1C3 |c:6,TLB:25:24:28:21.20.19,25:20:23.24.26:28,THB:19:20:23:26.27.28,19:27:23:21.25.20,18:19:23.24.26:28,(-3.84,1.82,;-2.42,1.21,;-2.25,-.31,;-.85,-.92,;-.67,-2.44,;.73,-3.05,;1.06,-4.55,;2.6,-4.7,;3.23,-3.3,;2.07,-2.26,;2.22,-.73,;3.64,-.09,;3.79,1.45,;2.53,2.36,;1.1,1.71,;.96,.17,;3.36,-6.02,;2.6,-7.35,;4.9,-6.02,;6.11,-6.95,;7.55,-6.46,;8.33,-7.66,;8.3,-9.07,;9.89,-9.77,;9.01,-8.5,;9.08,-7,;7.52,-9.02,;6.03,-8.45,;6.91,-9.56,)|
Show InChI InChI=1S/C25H35N3O/c1-2-3-7-10-28-23(19-8-5-4-6-9-19)16-22(27-28)25(29)26-24-20-12-17-11-18(14-20)15-21(24)13-17/h4-6,8-9,17-18,20-21,23-24H,2-3,7,10-16H2,1H3,(H,26,29)
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9.20n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
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
BindingDB Entry DOI: 10.7270/Q22J6CTB
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
BindingDB Entry DOI: 10.7270/Q22J6CTB
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
BindingDB Entry DOI: 10.7270/Q22J6CTB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50312828
PNG
(1-(2,4-dichlorophenyl)-N-methyl-5-phenyl-N'-(4-(tr...)
Show SMILES CN=C(NS(=O)(=O)c1ccc(cc1)C(F)(F)F)C1=NN(C(C1)c1ccccc1)c1ccc(Cl)cc1Cl |w:1.0,t:18|
Show InChI InChI=1S/C24H19Cl2F3N4O2S/c1-30-23(32-36(34,35)18-10-7-16(8-11-18)24(27,28)29)20-14-22(15-5-3-2-4-6-15)33(31-20)21-12-9-17(25)13-19(21)26/h2-13,22H,14H2,1H3,(H,30,32)
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11.3n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 1752-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.049
BindingDB Entry DOI: 10.7270/Q2736RWV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50325581
PNG
(CHEMBL1223648 | N-cyclooctyl-3-pentyl-4-phenyl-4,5...)
Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NC1CCCCCCC1 |t:5|
Show InChI InChI=1S/C23H35N3O/c1-2-3-8-17-22-21(19-13-9-7-10-14-19)18-26(25-22)23(27)24-20-15-11-5-4-6-12-16-20/h7,9-10,13-14,20-21H,2-6,8,11-12,15-18H2,1H3,(H,24,27)
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11.9n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50325586
PNG
(3-butyl-5,5-dimethyl-4-phenyl-N-(2-phenylpropan-2-...)
Show SMILES CCCCC1=NN(C(=O)NC(C)(C)c2ccccc2)C(C)(C)C1c1ccccc1 |t:4|
Show InChI InChI=1S/C25H33N3O/c1-6-7-18-21-22(19-14-10-8-11-15-19)25(4,5)28(27-21)23(29)26-24(2,3)20-16-12-9-13-17-20/h8-17,22H,6-7,18H2,1-5H3,(H,26,29)
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11.9n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50300458
PNG
(3-(4-chlorophenyl)-N'-(4,4-difluoropiperidin-1-yls...)
Show SMILES CN=C(NS(=O)(=O)N1CCC(F)(F)CC1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:19|
Show InChI InChI=1S/C22H24ClF2N5O2S/c1-26-21(28-33(31,32)29-13-11-22(24,25)12-14-29)30-15-19(16-5-3-2-4-6-16)20(27-30)17-7-9-18(23)10-8-17/h2-10,19H,11-15H2,1H3,(H,26,28)
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12.2n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 1752-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.049
BindingDB Entry DOI: 10.7270/Q2736RWV
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
BindingDB Entry DOI: 10.7270/Q22J6CTB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50325596
PNG
(CHEMBL1224631 | N-(((1S,2R,5S)-6,6-dimethylbicyclo...)
Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NC[C@@H]1CC[C@H]2C[C@@H]1C2(C)C |r,t:5,TLB:19:20:24:26|
Show InChI InChI=1S/C25H37N3O/c1-4-5-7-12-23-21(18-10-8-6-9-11-18)17-28(27-23)24(29)26-16-19-13-14-20-15-22(19)25(20,2)3/h6,8-11,19-22H,4-5,7,12-17H2,1-3H3,(H,26,29)/t19-,20-,21?,22-/m0/s1
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13.3n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
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
BindingDB Entry DOI: 10.7270/Q22J6CTB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50138899
PNG
(3-Chloro-N-[1-[3-(4-chloro-phenyl)-4-phenyl-4,5-di...)
Show SMILES CN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:18|
Show InChI InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-9-5-8-19(25)14-20)29-15-21(16-6-3-2-4-7-16)22(27-29)17-10-12-18(24)13-11-17/h2-14,21H,15H2,1H3,(H,26,28)
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13.9n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of CP-55,940 binding from recombinant human cannabinoid receptor 1 expressed in CHO cells


J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50163112
PNG
(1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-ethy...)
Show SMILES CCc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H23Cl3N4O/c1-2-20-21(23(31)28-29-12-4-3-5-13-29)27-22(18-11-8-16(25)14-19(18)26)30(20)17-9-6-15(24)7-10-17/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)
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14n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro displacement of CP-55940 binding to human CB1 receptor expressed in CHO cells


J Med Chem 48: 1823-38 (2005)


Article DOI: 10.1021/jm040843r
BindingDB Entry DOI: 10.7270/Q2251JX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50325575
PNG
(3-butyl-4-phenyl-N-(2-phenylpropan-2-yl)-4,5-dihyd...)
Show SMILES CCCCC1=NN(CC1c1ccccc1)C(=O)NC(C)(C)c1ccccc1 |t:4|
Show InChI InChI=1S/C23H29N3O/c1-4-5-16-21-20(18-12-8-6-9-13-18)17-26(25-21)22(27)24-23(2,3)19-14-10-7-11-15-19/h6-15,20H,4-5,16-17H2,1-3H3,(H,24,27)
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14.2n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50312832
PNG
(3-(4-chlorophenyl)-N-methyl-4-phenyl-N'-(4-(triflu...)
Show SMILES CNC(=NS(=O)(=O)N1CCC(CC1)C(F)(F)F)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:3.3,c:21|
Show InChI InChI=1S/C23H25ClF3N5O2S/c1-28-22(30-35(33,34)31-13-11-18(12-14-31)23(25,26)27)32-15-20(16-5-3-2-4-6-16)21(29-32)17-7-9-19(24)10-8-17/h2-10,18,20H,11-15H2,1H3,(H,28,30)
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14.5n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 1752-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.049
BindingDB Entry DOI: 10.7270/Q2736RWV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50325598
PNG
(3-Pentyl-4-phenyl-4,5-dihydro-pyraz ole-1-carboxyl...)
Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 |t:5,THB:18:19:22:26.24.25,24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25|
Show InChI InChI=1S/C25H35N3O/c1-2-3-5-10-23-22(21-8-6-4-7-9-21)17-28(27-23)24(29)26-25-14-18-11-19(15-25)13-20(12-18)16-25/h4,6-9,18-20,22H,2-3,5,10-17H2,1H3,(H,26,29)
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14.9n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50325583
PNG
(3-pentyl-4-phenyl-N-(2-(trifluoromethyl)phenyl)-4,...)
Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)Nc1ccccc1C(F)(F)F |t:5|
Show InChI InChI=1S/C22H24F3N3O/c1-2-3-5-13-19-17(16-10-6-4-7-11-16)15-28(27-19)21(29)26-20-14-9-8-12-18(20)22(23,24)25/h4,6-12,14,17H,2-3,5,13,15H2,1H3,(H,26,29)
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15n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50325580
PNG
(CHEMBL1223647 | N-cycloheptyl-3-pentyl-4-phenyl-4,...)
Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NC1CCCCCC1 |t:5|
Show InChI InChI=1S/C22H33N3O/c1-2-3-7-16-21-20(18-12-8-6-9-13-18)17-25(24-21)22(26)23-19-14-10-4-5-11-15-19/h6,8-9,12-13,19-20H,2-5,7,10-11,14-17H2,1H3,(H,23,26)
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15.3n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50325594
PNG
(3-Pentyl-4-phenyl-4,5-dihydro-pyrazole-1-carboxyli...)
Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NCC1CCCCC1 |t:5|
Show InChI InChI=1S/C22H33N3O/c1-2-3-6-15-21-20(19-13-9-5-10-14-19)17-25(24-21)22(26)23-16-18-11-7-4-8-12-18/h5,9-10,13-14,18,20H,2-4,6-8,11-12,15-17H2,1H3,(H,23,26)
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15.3n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50325596
PNG
(CHEMBL1224631 | N-(((1S,2R,5S)-6,6-dimethylbicyclo...)
Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NC[C@@H]1CC[C@H]2C[C@@H]1C2(C)C |r,t:5,TLB:19:20:24:26|
Show InChI InChI=1S/C25H37N3O/c1-4-5-7-12-23-21(18-10-8-6-9-11-18)17-28(27-23)24(29)26-16-19-13-14-20-15-22(19)25(20,2)3/h6,8-11,19-22H,4-5,7,12-17H2,1-3H3,(H,26,29)/t19-,20-,21?,22-/m0/s1
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15.6n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50325587
PNG
(3-butyl-5,5-dimethyl-4-phenyl-N-((1R,2S,4R)-1,7,7-...)
Show SMILES CCCCC1=NN(C(=O)N[C@H]2C[C@H]3CC[C@]2(C)C3(C)C)C(C)(C)C1c1ccccc1 |r,t:4|
Show InChI InChI=1S/C26H39N3O/c1-7-8-14-20-22(18-12-10-9-11-13-18)25(4,5)29(28-20)23(30)27-21-17-19-15-16-26(21,6)24(19,2)3/h9-13,19,21-22H,7-8,14-17H2,1-6H3,(H,27,30)/t19-,21+,22?,26+/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
16.1n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
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