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PubMed code 20634067

Compile data set for download or QSAR
Found 23 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))
BDBM50416474
PNG
(CHEMBL1209710)
Show SMILES C[C@H]1CN(CCN1C)C(=O)c1cn2[C@@H](COc3cccc1c23)C1CCCCC1 |r|
Show InChI InChI=1S/C23H31N3O2/c1-16-13-25(12-11-24(16)2)23(27)19-14-26-20(17-7-4-3-5-8-17)15-28-21-10-6-9-18(19)22(21)26/h6,9-10,14,16-17,20H,3-5,7-8,11-13,15H2,1-2H3/t16-,20-/m0/s1
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0.398n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human cannabinoid CB2 receptor expressed in insect Sf9 cells


Bioorg Med Chem Lett 20: 4918-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.067
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50416474
PNG
(CHEMBL1209710)
Show SMILES C[C@H]1CN(CCN1C)C(=O)c1cn2[C@@H](COc3cccc1c23)C1CCCCC1 |r|
Show InChI InChI=1S/C23H31N3O2/c1-16-13-25(12-11-24(16)2)23(27)19-14-26-20(17-7-4-3-5-8-17)15-28-21-10-6-9-18(19)22(21)26/h6,9-10,14,16-17,20H,3-5,7-8,11-13,15H2,1-2H3/t16-,20-/m0/s1
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2n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human cannabinoid CB1 receptor expressed in insect Sf9 cells


Bioorg Med Chem Lett 20: 4918-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.067
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50416463
PNG
(CHEMBL1209573)
Show SMILES CCN1CCN(CC1)C(=O)c1cn2[C@@H](COc3cccc1c23)C1CCCCC1 |r|
Show InChI InChI=1S/C23H31N3O2/c1-2-24-11-13-25(14-12-24)23(27)19-15-26-20(17-7-4-3-5-8-17)16-28-21-10-6-9-18(19)22(21)26/h6,9-10,15,17,20H,2-5,7-8,11-14,16H2,1H3/t20-/m0/s1
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3.98n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human cannabinoid CB2 receptor expressed in insect Sf9 cells


Bioorg Med Chem Lett 20: 4918-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.067
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50416463
PNG
(CHEMBL1209573)
Show SMILES CCN1CCN(CC1)C(=O)c1cn2[C@@H](COc3cccc1c23)C1CCCCC1 |r|
Show InChI InChI=1S/C23H31N3O2/c1-2-24-11-13-25(14-12-24)23(27)19-15-26-20(17-7-4-3-5-8-17)16-28-21-10-6-9-18(19)22(21)26/h6,9-10,15,17,20H,2-5,7-8,11-14,16H2,1H3/t20-/m0/s1
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12.6n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human cannabinoid CB1 receptor expressed in insect Sf9 cells


Bioorg Med Chem Lett 20: 4918-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.067
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50416473
PNG
(CHEMBL1209709)
Show SMILES COc1cccc2c(cn(CC3CCCCC3)c12)C(=O)N1CCN(C)[C@@H](C)C1 |r|
Show InChI InChI=1S/C23H33N3O2/c1-17-14-25(13-12-24(17)2)23(27)20-16-26(15-18-8-5-4-6-9-18)22-19(20)10-7-11-21(22)28-3/h7,10-11,16-18H,4-6,8-9,12-15H2,1-3H3/t17-/m0/s1
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n/an/an/an/a 25.1n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human cannabinoid CB1 receptor expressed in CHO cells after 5 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 4918-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.067
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50416474
PNG
(CHEMBL1209710)
Show SMILES C[C@H]1CN(CCN1C)C(=O)c1cn2[C@@H](COc3cccc1c23)C1CCCCC1 |r|
Show InChI InChI=1S/C23H31N3O2/c1-16-13-25(12-11-24(16)2)23(27)19-14-26-20(17-7-4-3-5-8-17)15-28-21-10-6-9-18(19)22(21)26/h6,9-10,14,16-17,20H,3-5,7-8,11-13,15H2,1-2H3/t16-,20-/m0/s1
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n/an/an/an/a 15.8n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human cannabinoid CB1 receptor expressed in CHO cells after 5 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 4918-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.067
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50416472
PNG
(CHEMBL1209708)
Show SMILES COc1cccc2c(cn(CC3CCCCC3)c12)C(=O)N1C[C@H](C)N(C)[C@H](C)C1 |r|
Show InChI InChI=1S/C24H35N3O2/c1-17-13-27(14-18(2)25(17)3)24(28)21-16-26(15-19-9-6-5-7-10-19)23-20(21)11-8-12-22(23)29-4/h8,11-12,16-19H,5-7,9-10,13-15H2,1-4H3/t17-,18+
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n/an/an/an/a 25.1n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human cannabinoid CB1 receptor expressed in CHO cells after 5 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 4918-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.067
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50416469
PNG
(CHEMBL1209645)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C)C(=O)c1cn2[C@@H](COc3cccc1c23)C1CCCCC1 |r|
Show InChI InChI=1S/C24H33N3O2/c1-16-12-26(13-17(2)25(16)3)24(28)20-14-27-21(18-8-5-4-6-9-18)15-29-22-11-7-10-19(20)23(22)27/h7,10-11,14,16-18,21H,4-6,8-9,12-13,15H2,1-3H3/t16-,17+,21-/m0/s1
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n/an/an/an/a 6.31n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human cannabinoid CB1 receptor expressed in CHO cells after 5 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 4918-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.067
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50416478
PNG
(CHEMBL1209712)
Show SMILES C[C@H]1CN(C)C[C@@H](C)N1C(=O)c1cn2[C@@H](COc3cccc1c23)C1CCCCC1 |r|
Show InChI InChI=1S/C24H33N3O2/c1-16-12-25(3)13-17(2)27(16)24(28)20-14-26-21(18-8-5-4-6-9-18)15-29-22-11-7-10-19(20)23(22)26/h7,10-11,14,16-18,21H,4-6,8-9,12-13,15H2,1-3H3/t16-,17+,21-/m0/s1
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n/an/an/an/a 63.1n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human cannabinoid CB1 receptor expressed in CHO cells after 5 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 4918-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.067
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50416463
PNG
(CHEMBL1209573)
Show SMILES CCN1CCN(CC1)C(=O)c1cn2[C@@H](COc3cccc1c23)C1CCCCC1 |r|
Show InChI InChI=1S/C23H31N3O2/c1-2-24-11-13-25(14-12-24)23(27)19-15-26-20(17-7-4-3-5-8-17)16-28-21-10-6-9-18(19)22(21)26/h6,9-10,15,17,20H,2-5,7-8,11-14,16H2,1H3/t20-/m0/s1
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n/an/an/an/a 31.6n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human cannabinoid CB1 receptor expressed in CHO cells after 5 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 4918-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.067
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50416467
PNG
(CHEMBL1209643)
Show SMILES O=C(N1CCNCC1)c1cn2[C@@H](COc3cccc1c23)C1CCCCC1 |r|
Show InChI InChI=1S/C21H27N3O2/c25-21(23-11-9-22-10-12-23)17-13-24-18(15-5-2-1-3-6-15)14-26-19-8-4-7-16(17)20(19)24/h4,7-8,13,15,18,22H,1-3,5-6,9-12,14H2/t18-/m0/s1
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n/an/an/an/a 3.98E+3n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human cannabinoid CB1 receptor expressed in CHO cells after 5 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 4918-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.067
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50416476
PNG
(CHEMBL1209806)
Show SMILES C[C@H]1CN(C[C@@H](C)N1CCO)C(=O)c1cn2[C@@H](COc3cccc1c23)C1CCCCC1 |r|
Show InChI InChI=1S/C25H35N3O3/c1-17-13-26(14-18(2)27(17)11-12-29)25(30)21-15-28-22(19-7-4-3-5-8-19)16-31-23-10-6-9-20(21)24(23)28/h6,9-10,15,17-19,22,29H,3-5,7-8,11-14,16H2,1-2H3/t17-,18+,22-/m0/s1
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n/an/an/an/a 6.31n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human cannabinoid CB1 receptor expressed in CHO cells after 5 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 4918-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.067
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50416479
PNG
(CHEMBL1209711)
Show SMILES C[C@H]1CN(CCN1)C(=O)c1cn2[C@@H](COc3cccc1c23)C1CCCCC1 |r|
Show InChI InChI=1S/C22H29N3O2/c1-15-12-24(11-10-23-15)22(26)18-13-25-19(16-6-3-2-4-7-16)14-27-20-9-5-8-17(18)21(20)25/h5,8-9,13,15-16,19,23H,2-4,6-7,10-12,14H2,1H3/t15-,19-/m0/s1
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n/an/an/an/a 501n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human cannabinoid CB1 receptor expressed in CHO cells after 5 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 4918-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.067
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50416475
PNG
(CHEMBL1209807)
Show SMILES COCCN1[C@@H](C)CN(C[C@H]1C)C(=O)c1cn2[C@@H](COc3cccc1c23)C1CCCCC1 |r|
Show InChI InChI=1S/C26H37N3O3/c1-18-14-27(15-19(2)28(18)12-13-31-3)26(30)22-16-29-23(20-8-5-4-6-9-20)17-32-24-11-7-10-21(22)25(24)29/h7,10-11,16,18-20,23H,4-6,8-9,12-15,17H2,1-3H3/t18-,19+,23-/m0/s1
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n/an/an/an/a 5.01n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human cannabinoid CB1 receptor expressed in CHO cells after 5 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 4918-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.067
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50416468
PNG
(CHEMBL1209644)
Show SMILES CCN1[C@@H](C)CN(C[C@H]1C)C(=O)c1cn2[C@@H](COc3cccc1c23)C1CCCCC1 |r|
Show InChI InChI=1S/C25H35N3O2/c1-4-27-17(2)13-26(14-18(27)3)25(29)21-15-28-22(19-9-6-5-7-10-19)16-30-23-12-8-11-20(21)24(23)28/h8,11-12,15,17-19,22H,4-7,9-10,13-14,16H2,1-3H3/t17-,18+,22-/m0/s1
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n/an/an/an/a 3.98n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human cannabinoid CB1 receptor expressed in CHO cells after 5 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 4918-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.067
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50416461
PNG
(CHEMBL1209502)
Show SMILES CCN1CCN(CC1)C(=O)c1cn2C(COc3cccc1c23)C1CCCCC1
Show InChI InChI=1S/C23H31N3O2/c1-2-24-11-13-25(14-12-24)23(27)19-15-26-20(17-7-4-3-5-8-17)16-28-21-10-6-9-18(19)22(21)26/h6,9-10,15,17,20H,2-5,7-8,11-14,16H2,1H3
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n/an/an/an/a 31.6n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human cannabinoid CB1 receptor expressed in CHO cells after 5 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 4918-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.067
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50416471
PNG
(CHEMBL1209647)
Show SMILES CCN1[C@@H](C)CN(C[C@H]1C)C(=O)c1cn(CC2CCCCC2)c2c(OC)cccc12 |r|
Show InChI InChI=1S/C25H37N3O2/c1-5-28-18(2)14-27(15-19(28)3)25(29)22-17-26(16-20-10-7-6-8-11-20)24-21(22)12-9-13-23(24)30-4/h9,12-13,17-20H,5-8,10-11,14-16H2,1-4H3/t18-,19+
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n/an/an/an/a 10n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human cannabinoid CB1 receptor expressed in CHO cells after 5 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 4918-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.067
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50416477
PNG
(CHEMBL1209805)
Show SMILES C[C@H]1CNC[C@@H](C)N1C(=O)c1cn2[C@@H](COc3cccc1c23)C1CCCCC1 |r|
Show InChI InChI=1S/C23H31N3O2/c1-15-11-24-12-16(2)26(15)23(27)19-13-25-20(17-7-4-3-5-8-17)14-28-21-10-6-9-18(19)22(21)25/h6,9-10,13,15-17,20,24H,3-5,7-8,11-12,14H2,1-2H3/t15-,16+,20-/m0/s1
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n/an/an/an/a 794n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human cannabinoid CB1 receptor expressed in CHO cells after 5 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 4918-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.067
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50416470
PNG
(CHEMBL1209646)
Show SMILES C[C@H]1CN(C[C@@H](C)N1)C(=O)c1cn2[C@@H](COc3cccc1c23)C1CCCCC1 |r|
Show InChI InChI=1S/C23H31N3O2/c1-15-11-25(12-16(2)24-15)23(27)19-13-26-20(17-7-4-3-5-8-17)14-28-21-10-6-9-18(19)22(21)26/h6,9-10,13,15-17,20,24H,3-5,7-8,11-12,14H2,1-2H3/t15-,16+,20-/m0/s1
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n/an/an/an/a 126n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human cannabinoid CB1 receptor expressed in CHO cells after 5 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 4918-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.067
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50416466
PNG
(CHEMBL1209576)
Show SMILES CN1CCN(CC1)C(=O)c1cn2[C@@H](COc3cccc1c23)C1CCCCC1 |r|
Show InChI InChI=1S/C22H29N3O2/c1-23-10-12-24(13-11-23)22(26)18-14-25-19(16-6-3-2-4-7-16)15-27-20-9-5-8-17(18)21(20)25/h5,8-9,14,16,19H,2-4,6-7,10-13,15H2,1H3/t19-/m0/s1
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n/an/an/an/a 100n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human cannabinoid CB1 receptor expressed in CHO cells after 5 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 4918-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.067
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50416465
PNG
(CHEMBL1209575)
Show SMILES CCN1CCN(CC1)C(=O)c1cn(CC2CCCCC2)c2c(OC)cccc12
Show InChI InChI=1S/C23H33N3O2/c1-3-24-12-14-25(15-13-24)23(27)20-17-26(16-18-8-5-4-6-9-18)22-19(20)10-7-11-21(22)28-2/h7,10-11,17-18H,3-6,8-9,12-16H2,1-2H3
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n/an/an/an/a 158n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human cannabinoid CB1 receptor expressed in CHO cells after 5 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 4918-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.067
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50416462
PNG
(CHEMBL1209572)
Show SMILES CCN1CCN(CC1)C(=O)c1cn2C(CCc3cccc1c23)C1CCCCC1
Show InChI InChI=1S/C24H33N3O/c1-2-25-13-15-26(16-14-25)24(28)21-17-27-22(18-7-4-3-5-8-18)12-11-19-9-6-10-20(21)23(19)27/h6,9-10,17-18,22H,2-5,7-8,11-16H2,1H3
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n/an/an/an/a 25.1n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human cannabinoid CB1 receptor expressed in CHO cells after 5 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 4918-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.067
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50416464
PNG
(CHEMBL1209574)
Show SMILES CCN1CCN(CC1)C(=O)c1cn2[C@H](COc3cccc1c23)C1CCCCC1 |r|
Show InChI InChI=1S/C23H31N3O2/c1-2-24-11-13-25(14-12-24)23(27)19-15-26-20(17-7-4-3-5-8-17)16-28-21-10-6-9-18(19)22(21)26/h6,9-10,15,17,20H,2-5,7-8,11-14,16H2,1H3/t20-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human cannabinoid CB1 receptor expressed in CHO cells after 5 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 4918-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.067
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%