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Compile Data Set for Download or QSAR

Found 58 hits from Abbott Healthcare Products BV   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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
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 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
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
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
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
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 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
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 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
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
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
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
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
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 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
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))
BDBM50325592
PNG
(3-Pentyl-4-phenyl-4,5-dihydro-pyrazole-1-carboxyli...)
Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)Nc1cccc2ccccc12
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))
BDBM50325595
PNG
(3-Pentyl-4-phenyl-4,5-dihydro-pyrazole-1-carboxyli...)
Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NCC12CC3CC(CC(C3)C1)C2
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
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 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
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))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23
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 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
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 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
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 1


(Homo sapiens (human))
BDBM50325581
PNG
(CHEMBL1223648 | N-cyclooctyl-3-pentyl-4-phenyl-4,5...)
Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NC1CCCCCCC1
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
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 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
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 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
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 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
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
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))
BDBM50325594
PNG
(3-Pentyl-4-phenyl-4,5-dihydro-pyrazole-1-carboxyli...)
Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NCC1CCCCC1
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))
BDBM50325580
PNG
(CHEMBL1223647 | N-cycloheptyl-3-pentyl-4-phenyl-4,...)
Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NC1CCCCCC1
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))
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
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
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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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
Cannabinoid receptor 1


(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
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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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
Cannabinoid receptor 2


(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
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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17.6n/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 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))
BDBM50325578
PNG
(3-butyl-N-(2-phenylpropan-2-yl)-4-(thiophen-3-yl)-...)
Show SMILES CCCCC1=NN(CC1c1ccsc1)C(=O)NC(C)(C)c1ccccc1
Show InChI InChI=1S/C21H27N3OS/c1-4-5-11-19-18(16-12-13-26-15-16)14-24(23-19)20(25)22-21(2,3)17-9-7-6-8-10-17/h6-10,12-13,15,18H,4-5,11,14H2,1-3H3,(H,22,25)
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19.3n/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 2


(Homo sapiens (human))
BDBM50325580
PNG
(CHEMBL1223647 | N-cycloheptyl-3-pentyl-4-phenyl-4,...)
Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NC1CCCCCC1
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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19.8n/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 2


(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
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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20.1n/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 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))
BDBM50325582
PNG
(3-pentyl-4-phenyl-N-(1,2,3,4-tetrahydronaphthalen-...)
Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C25H31N3O/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/h4,6-9,11-13,15,22-23H,2-3,5,10,14,16-18H2,1H3,(H,26,29)
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22.5n/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))
BDBM50325581
PNG
(CHEMBL1223648 | N-cyclooctyl-3-pentyl-4-phenyl-4,5...)
Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NC1CCCCCCC1
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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26.6n/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 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
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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28.5n/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))
BDBM50325577
PNG
(3-butyl-4-(2-fluorophenyl)-N-(2-(4-fluorophenyl)pr...)
Show SMILES CCCCC1=NN(CC1c1ccccc1F)C(=O)NC(C)(C)c1ccc(F)cc1
Show InChI InChI=1S/C23H27F2N3O/c1-4-5-10-21-19(18-8-6-7-9-20(18)25)15-28(27-21)22(29)26-23(2,3)16-11-13-17(24)14-12-16/h6-9,11-14,19H,4-5,10,15H2,1-3H3,(H,26,29)
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32n/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))
BDBM50325582
PNG
(3-pentyl-4-phenyl-N-(1,2,3,4-tetrahydronaphthalen-...)
Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C25H31N3O/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/h4,6-9,11-13,15,22-23H,2-3,5,10,14,16-18H2,1H3,(H,26,29)
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33.1n/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
Cannabinoid receptor 2


(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
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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35.6n/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 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))
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
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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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 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))
BDBM50325592
PNG
(3-Pentyl-4-phenyl-4,5-dihydro-pyrazole-1-carboxyli...)
Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)Nc1cccc2ccccc12
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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36.6n/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 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))
BDBM50325576
PNG
(3-butyl-4-(3-fluorophenyl)-N-(2-(4-fluorophenyl)pr...)
Show SMILES CCCCC1=NN(CC1c1cccc(F)c1)C(=O)NC(C)(C)c1ccc(F)cc1
Show InChI InChI=1S/C23H27F2N3O/c1-4-5-9-21-20(16-7-6-8-19(25)14-16)15-28(27-21)22(29)26-23(2,3)17-10-12-18(24)13-11-17/h6-8,10-14,20H,4-5,9,15H2,1-3H3,(H,26,29)
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44.9n/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 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
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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46.8n/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 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))
BDBM50325593
PNG
(3-Pentyl-4-phenyl-4,5-dihydro-pyrazole-1-carboxyli...)
Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C22H27N3O/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/h4-5,7-14,20H,2-3,6,15-17H2,1H3,(H,23,26)
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51n/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))
BDBM50325579
PNG
(CHEMBL1223646 | N-cyclohexyl-3-pentyl-4-phenyl-4,5...)
Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C21H31N3O/c1-2-3-6-15-20-19(17-11-7-4-8-12-17)16-24(23-20)21(25)22-18-13-9-5-10-14-18/h4,7-8,11-12,18-19H,2-3,5-6,9-10,13-16H2,1H3,(H,22,25)
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52n/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))
BDBM50325594
PNG
(3-Pentyl-4-phenyl-4,5-dihydro-pyrazole-1-carboxyli...)
Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NCC1CCCCC1
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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53n/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))
BDBM50325578
PNG
(3-butyl-N-(2-phenylpropan-2-yl)-4-(thiophen-3-yl)-...)
Show SMILES CCCCC1=NN(CC1c1ccsc1)C(=O)NC(C)(C)c1ccccc1
Show InChI InChI=1S/C21H27N3OS/c1-4-5-11-19-18(16-12-13-26-15-16)14-24(23-19)20(25)22-21(2,3)17-9-7-6-8-10-17/h6-10,12-13,15,18H,4-5,11,14H2,1-3H3,(H,22,25)
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62n/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))
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
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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68n/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))
BDBM50325583
PNG
(3-pentyl-4-phenyl-N-(2-(trifluoromethyl)phenyl)-4,...)
Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)Nc1ccccc1C(F)(F)F
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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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 2


(Homo sapiens (human))
BDBM50325576
PNG
(3-butyl-4-(3-fluorophenyl)-N-(2-(4-fluorophenyl)pr...)
Show SMILES CCCCC1=NN(CC1c1cccc(F)c1)C(=O)NC(C)(C)c1ccc(F)cc1
Show InChI InChI=1S/C23H27F2N3O/c1-4-5-9-21-20(16-7-6-8-19(25)14-16)15-28(27-21)22(29)26-23(2,3)17-10-12-18(24)13-11-17/h6-8,10-14,20H,4-5,9,15H2,1-3H3,(H,26,29)
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74n/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
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