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PubMed code 20971001

Compile data set for download or QSAR
Found 45 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 1


(Homo sapiens (Human))
BDBM50347380
PNG
(CHEMBL1801350)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cncc(Br)c1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r|
Show InChI InChI=1S/C25H20BrClFN5O2/c1-14(30-24(35)25(8-9-25)31-23(34)15-10-16(26)13-29-12-15)18-7-6-17(11-20(18)28)33-21-5-3-2-4-19(21)22(27)32-33/h2-7,10-14H,8-9H2,1H3,(H,30,35)(H,31,34)/t14-/m1/s1
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0.120n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347351
PNG
(CHEMBL1801352)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cncnc1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r|
Show InChI InChI=1S/C24H20ClFN6O2/c1-14(29-23(34)24(8-9-24)30-22(33)15-11-27-13-28-12-15)17-7-6-16(10-19(17)26)32-20-5-3-2-4-18(20)21(25)31-32/h2-7,10-14H,8-9H2,1H3,(H,29,34)(H,30,33)/t14-/m1/s1
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0.180n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347379
PNG
(CHEMBL1801349)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cncc(Cl)c1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r|
Show InChI InChI=1S/C25H20Cl2FN5O2/c1-14(30-24(35)25(8-9-25)31-23(34)15-10-16(26)13-29-12-15)18-7-6-17(11-20(18)28)33-21-5-3-2-4-19(21)22(27)32-33/h2-7,10-14H,8-9H2,1H3,(H,30,35)(H,31,34)/t14-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347370
PNG
(CHEMBL1801087)
Show SMILES COc1ncc(s1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r|
Show InChI InChI=1S/C24H21ClFN5O3S/c1-13(28-22(33)24(9-10-24)29-21(32)19-12-27-23(34-2)35-19)15-8-7-14(11-17(15)26)31-18-6-4-3-5-16(18)20(25)30-31/h3-8,11-13H,9-10H2,1-2H3,(H,28,33)(H,29,32)/t13-/m1/s1
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0.290n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347376
PNG
(CHEMBL1801346)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cncc(O)c1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r|
Show InChI InChI=1S/C25H21ClFN5O3/c1-14(29-24(35)25(8-9-25)30-23(34)15-10-17(33)13-28-12-15)18-7-6-16(11-20(18)27)32-21-5-3-2-4-19(21)22(26)31-32/h2-7,10-14,33H,8-9H2,1H3,(H,29,35)(H,30,34)/t14-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347378
PNG
(CHEMBL1801348)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cncc(F)c1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r|
Show InChI InChI=1S/C25H20ClF2N5O2/c1-14(30-24(35)25(8-9-25)31-23(34)15-10-16(27)13-29-12-15)18-7-6-17(11-20(18)28)33-21-5-3-2-4-19(21)22(26)32-33/h2-7,10-14H,8-9H2,1H3,(H,30,35)(H,31,34)/t14-/m1/s1
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0.370n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347373
PNG
(CHEMBL1801341)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cn[nH]c1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r|
Show InChI InChI=1S/C23H20ClFN6O2/c1-13(28-22(33)23(8-9-23)29-21(32)14-11-26-27-12-14)16-7-6-15(10-18(16)25)31-19-5-3-2-4-17(19)20(24)30-31/h2-7,10-13H,8-9H2,1H3,(H,26,27)(H,28,33)(H,29,32)/t13-/m1/s1
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0.380n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347375
PNG
(CHEMBL1801345)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cncc(C)c1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r|
Show InChI InChI=1S/C26H23ClFN5O2/c1-15-11-17(14-29-13-15)24(34)31-26(9-10-26)25(35)30-16(2)19-8-7-18(12-21(19)28)33-22-6-4-3-5-20(22)23(27)32-33/h3-8,11-14,16H,9-10H2,1-2H3,(H,30,35)(H,31,34)/t16-/m1/s1
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0.470n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347383
PNG
(CHEMBL1801344)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1ccc(Br)nc1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r|
Show InChI InChI=1S/C25H20BrClFN5O2/c1-14(30-24(35)25(10-11-25)31-23(34)15-6-9-21(26)29-13-15)17-8-7-16(12-19(17)28)33-20-5-3-2-4-18(20)22(27)32-33/h2-9,12-14H,10-11H2,1H3,(H,30,35)(H,31,34)/t14-/m1/s1
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0.490n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347377
PNG
(CHEMBL1801347)
Show SMILES COc1cncc(c1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r|
Show InChI InChI=1S/C26H23ClFN5O3/c1-15(30-25(35)26(9-10-26)31-24(34)16-11-18(36-2)14-29-13-16)19-8-7-17(12-21(19)28)33-22-6-4-3-5-20(22)23(27)32-33/h3-8,11-15H,9-10H2,1-2H3,(H,30,35)(H,31,34)/t15-/m1/s1
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0.520n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347369
PNG
(CHEMBL1801086)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cncs1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r|
Show InChI InChI=1S/C23H19ClFN5O2S/c1-13(27-22(32)23(8-9-23)28-21(31)19-11-26-12-33-19)15-7-6-14(10-17(15)25)30-18-5-3-2-4-16(18)20(24)29-30/h2-7,10-13H,8-9H2,1H3,(H,27,32)(H,28,31)/t13-/m1/s1
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0.540n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347381
PNG
(CHEMBL1801351)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1ccnnc1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r|
Show InChI InChI=1S/C24H20ClFN6O2/c1-14(29-23(34)24(9-10-24)30-22(33)15-8-11-27-28-13-15)17-7-6-16(12-19(17)26)32-20-5-3-2-4-18(20)21(25)31-32/h2-8,11-14H,9-10H2,1H3,(H,29,34)(H,30,33)/t14-/m1/s1
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0.650n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347363
PNG
(CHEMBL1801085)
Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r|
Show InChI InChI=1S/C24H21ClFN5O4/c1-13(27-23(33)24(9-10-24)28-22(32)19-12-20(34-2)30-35-19)15-8-7-14(11-17(15)26)31-18-6-4-3-5-16(18)21(25)29-31/h3-8,11-13H,9-10H2,1-2H3,(H,27,33)(H,28,32)/t13-/m1/s1
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0.670n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347372
PNG
(CHEMBL1801340)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1snnc1C)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r|
Show InChI InChI=1S/C23H20ClFN6O2S/c1-12(26-22(33)23(9-10-23)27-21(32)19-13(2)28-30-34-19)15-8-7-14(11-17(15)25)31-18-6-4-3-5-16(18)20(24)29-31/h3-8,11-12H,9-10H2,1-2H3,(H,26,33)(H,27,32)/t12-/m1/s1
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0.710n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347359
PNG
(CHEMBL1801076)
Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1nc(Br)c2ccccc12 |r|
Show InChI InChI=1S/C24H21BrFN5O4/c1-13(27-23(33)24(9-10-24)28-22(32)19-12-20(34-2)30-35-19)15-8-7-14(11-17(15)26)31-18-6-4-3-5-16(18)21(25)29-31/h3-8,11-13H,9-10H2,1-2H3,(H,27,33)(H,28,32)/t13-/m1/s1
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0.810n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347353
PNG
(CHEMBL1801354)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cncc(Cl)n1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r|
Show InChI InChI=1S/C24H19Cl2FN6O2/c1-13(29-23(35)24(8-9-24)31-22(34)18-11-28-12-20(25)30-18)15-7-6-14(10-17(15)27)33-19-5-3-2-4-16(19)21(26)32-33/h2-7,10-13H,8-9H2,1H3,(H,29,35)(H,31,34)/t13-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347355
PNG
(CHEMBL1801072)
Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1nc(C)c2ccccc12 |r|
Show InChI InChI=1S/C25H24FN5O4/c1-14(27-24(33)25(10-11-25)28-23(32)21-13-22(34-3)30-35-21)17-9-8-16(12-19(17)26)31-20-7-5-4-6-18(20)15(2)29-31/h4-9,12-14H,10-11H2,1-3H3,(H,27,33)(H,28,32)/t14-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347382
PNG
(CHEMBL1801343)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1ccc(C)nc1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r|
Show InChI InChI=1S/C26H23ClFN5O2/c1-15-7-8-17(14-29-15)24(34)31-26(11-12-26)25(35)30-16(2)19-10-9-18(13-21(19)28)33-22-6-4-3-5-20(22)23(27)32-33/h3-10,13-14,16H,11-12H2,1-2H3,(H,30,35)(H,31,34)/t16-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347374
PNG
(CHEMBL1801342)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cccnc1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r|
Show InChI InChI=1S/C25H21ClFN5O2/c1-15(29-24(34)25(10-11-25)30-23(33)16-5-4-12-28-14-16)18-9-8-17(13-20(18)27)32-21-7-3-2-6-19(21)22(26)31-32/h2-9,12-15H,10-11H2,1H3,(H,29,34)(H,30,33)/t15-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50202419
PNG
(3,3'-Difluoro-4'-({[1-(2,2,2-trifluoro-acetylamino...)
Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C21H17F5N2O4/c1-32-17(29)16-13(3-2-4-14(16)22)11-5-6-12(15(23)9-11)10-27-18(30)20(7-8-20)28-19(31)21(24,25)26/h2-6,9H,7-8,10H2,1H3,(H,27,30)(H,28,31)
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1.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347362
PNG
(CHEMBL1801079)
Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1nc(C#N)c2ccccc12 |r|
Show InChI InChI=1S/C25H21FN6O4/c1-14(28-24(34)25(9-10-25)29-23(33)21-12-22(35-2)31-36-21)16-8-7-15(11-18(16)26)32-20-6-4-3-5-17(20)19(13-27)30-32/h3-8,11-12,14H,9-10H2,1-2H3,(H,28,34)(H,29,33)/t14-/m1/s1
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2.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347371
PNG
(CHEMBL1801339)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1scnc1C)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r|
Show InChI InChI=1S/C24H21ClFN5O2S/c1-13(28-23(33)24(9-10-24)29-22(32)20-14(2)27-12-34-20)16-8-7-15(11-18(16)26)31-19-6-4-3-5-17(19)21(25)30-31/h3-8,11-13H,9-10H2,1-2H3,(H,28,33)(H,29,32)/t13-/m1/s1
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8.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347368
PNG
(CHEMBL1801084)
Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1nc(C)c2CCCCc12 |r|
Show InChI InChI=1S/C25H28FN5O4/c1-14(27-24(33)25(10-11-25)28-23(32)21-13-22(34-3)30-35-21)17-9-8-16(12-19(17)26)31-20-7-5-4-6-18(20)15(2)29-31/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,27,33)(H,28,32)/t14-/m1/s1
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10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347354
PNG
(CHEMBL1801163)
Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1ncc2ccccc12 |r|
Show InChI InChI=1S/C24H22FN5O4/c1-14(27-23(32)24(9-10-24)28-22(31)20-12-21(33-2)29-34-20)17-8-7-16(11-18(17)25)30-19-6-4-3-5-15(19)13-26-30/h3-8,11-14H,9-10H2,1-2H3,(H,27,32)(H,28,31)/t14-/m1/s1
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11n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347350
PNG
(CHEMBL1801355)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)C(F)(F)F)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r|
Show InChI InChI=1S/C21H17ClF4N4O2/c1-11(27-18(31)20(8-9-20)28-19(32)21(24,25)26)13-7-6-12(10-15(13)23)30-16-5-3-2-4-14(16)17(22)29-30/h2-7,10-11H,8-9H2,1H3,(H,27,31)(H,28,32)/t11-/m1/s1
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11n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347352
PNG
(CHEMBL1801353)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cnccn1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r|
Show InChI InChI=1S/C24H20ClFN6O2/c1-14(29-23(34)24(8-9-24)30-22(33)19-13-27-10-11-28-19)16-7-6-15(12-18(16)26)32-20-5-3-2-4-17(20)21(25)31-32/h2-7,10-14H,8-9H2,1H3,(H,29,34)(H,30,33)/t14-/m1/s1
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16.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347356
PNG
(CHEMBL1801073)
Show SMILES CCc1nn(-c2ccc([C@@H](C)NC(=O)C3(CC3)NC(=O)c3cc(OC)no3)c(F)c2)c2ccccc12 |r|
Show InChI InChI=1S/C26H26FN5O4/c1-4-20-18-7-5-6-8-21(18)32(30-20)16-9-10-17(19(27)13-16)15(2)28-25(34)26(11-12-26)29-24(33)22-14-23(35-3)31-36-22/h5-10,13-15H,4,11-12H2,1-3H3,(H,28,34)(H,29,33)/t15-/m1/s1
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19n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347361
PNG
(CHEMBL1801078)
Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1nc(OC)c2ccccc12 |r|
Show InChI InChI=1S/C25H24FN5O5/c1-14(27-24(33)25(10-11-25)28-22(32)20-13-21(34-2)30-36-20)16-9-8-15(12-18(16)26)31-19-7-5-4-6-17(19)23(29-31)35-3/h4-9,12-14H,10-11H2,1-3H3,(H,27,33)(H,28,32)/t14-/m1/s1
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21n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347367
PNG
(CHEMBL1801083)
Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1ncc2CCCCc12 |r|
Show InChI InChI=1S/C24H26FN5O4/c1-14(27-23(32)24(9-10-24)28-22(31)20-12-21(33-2)29-34-20)17-8-7-16(11-18(17)25)30-19-6-4-3-5-15(19)13-26-30/h7-8,11-14H,3-6,9-10H2,1-2H3,(H,27,32)(H,28,31)/t14-/m1/s1
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27n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347357
PNG
(CHEMBL1801074)
Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1nc(C2CC2)c2ccccc12 |r|
Show InChI InChI=1S/C27H26FN5O4/c1-15(29-26(35)27(11-12-27)30-25(34)22-14-23(36-2)32-37-22)18-10-9-17(13-20(18)28)33-21-6-4-3-5-19(21)24(31-33)16-7-8-16/h3-6,9-10,13-16H,7-8,11-12H2,1-2H3,(H,29,35)(H,30,34)/t15-/m1/s1
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33n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347358
PNG
(CHEMBL1801075)
Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1nc(-c2ccccc2)c2ccccc12 |r|
Show InChI InChI=1S/C30H26FN5O4/c1-18(32-29(38)30(14-15-30)33-28(37)25-17-26(39-2)35-40-25)21-13-12-20(16-23(21)31)36-24-11-7-6-10-22(24)27(34-36)19-8-4-3-5-9-19/h3-13,16-18H,14-15H2,1-2H3,(H,32,38)(H,33,37)/t18-/m1/s1
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82n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347364
PNG
(CHEMBL1801080)
Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1cccn1 |r|
Show InChI InChI=1S/C20H20FN5O4/c1-12(14-5-4-13(10-15(14)21)26-9-3-8-22-26)23-19(28)20(6-7-20)24-18(27)16-11-17(29-2)25-30-16/h3-5,8-12H,6-7H2,1-2H3,(H,23,28)(H,24,27)/t12-/m1/s1
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220n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347360
PNG
(CHEMBL1801077)
Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1[nH]c(=O)c2ccccc12 |r|
Show InChI InChI=1S/C24H22FN5O5/c1-13(26-23(33)24(9-10-24)27-22(32)19-12-20(34-2)29-35-19)15-8-7-14(11-17(15)25)30-18-6-4-3-5-16(18)21(31)28-30/h3-8,11-13H,9-10H2,1-2H3,(H,26,33)(H,27,32)(H,28,31)/t13-/m1/s1
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335n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347366
PNG
(CHEMBL1801082)
Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1cc(cn1)-c1ccccc1 |r|
Show InChI InChI=1S/C26H24FN5O4/c1-16(29-25(34)26(10-11-26)30-24(33)22-13-23(35-2)31-36-22)20-9-8-19(12-21(20)27)32-15-18(14-28-32)17-6-4-3-5-7-17/h3-9,12-16H,10-11H2,1-2H3,(H,29,34)(H,30,33)/t16-/m1/s1
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510n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347365
PNG
(CHEMBL1801081)
Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1ccc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C26H24FN5O4/c1-16(28-25(34)26(11-12-26)29-24(33)22-15-23(35-2)31-36-22)19-9-8-18(14-20(19)27)32-13-10-21(30-32)17-6-4-3-5-7-17/h3-10,13-16H,11-12H2,1-2H3,(H,28,34)(H,29,33)/t16-/m1/s1
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610n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50347357
PNG
(CHEMBL1801074)
Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1nc(C2CC2)c2ccccc12 |r|
Show InChI InChI=1S/C27H26FN5O4/c1-15(29-26(35)27(11-12-27)30-25(34)22-14-23(36-2)32-37-22)18-10-9-17(13-20(18)28)33-21-6-4-3-5-19(21)24(31-33)16-7-8-16/h3-6,9-10,13-16H,7-8,11-12H2,1-2H3,(H,29,35)(H,30,34)/t15-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50347356
PNG
(CHEMBL1801073)
Show SMILES CCc1nn(-c2ccc([C@@H](C)NC(=O)C3(CC3)NC(=O)c3cc(OC)no3)c(F)c2)c2ccccc12 |r|
Show InChI InChI=1S/C26H26FN5O4/c1-4-20-18-7-5-6-8-21(18)32(30-20)16-9-10-17(19(27)13-16)15(2)28-25(34)26(11-12-26)29-24(33)22-14-23(35-3)31-36-22/h5-10,13-15H,4,11-12H2,1-3H3,(H,28,34)(H,29,33)/t15-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50347354
PNG
(CHEMBL1801163)
Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1ncc2ccccc12 |r|
Show InChI InChI=1S/C24H22FN5O4/c1-14(27-23(32)24(9-10-24)28-22(31)20-12-21(33-2)29-34-20)17-8-7-16(11-18(17)25)30-19-6-4-3-5-15(19)13-26-30/h3-8,11-14H,9-10H2,1-2H3,(H,27,32)(H,28,31)/t14-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50347361
PNG
(CHEMBL1801078)
Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1nc(OC)c2ccccc12 |r|
Show InChI InChI=1S/C25H24FN5O5/c1-14(27-24(33)25(10-11-25)28-22(32)20-13-21(34-2)30-36-20)16-9-8-15(12-18(16)26)31-19-7-5-4-6-17(19)23(29-31)35-3/h4-9,12-14H,10-11H2,1-3H3,(H,27,33)(H,28,32)/t14-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50347360
PNG
(CHEMBL1801077)
Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1[nH]c(=O)c2ccccc12 |r|
Show InChI InChI=1S/C24H22FN5O5/c1-13(26-23(33)24(9-10-24)27-22(32)19-12-20(34-2)29-35-19)15-8-7-14(11-17(15)25)30-18-6-4-3-5-16(18)21(31)28-30/h3-8,11-13H,9-10H2,1-2H3,(H,26,33)(H,27,32)(H,28,31)/t13-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50347358
PNG
(CHEMBL1801075)
Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1nc(-c2ccccc2)c2ccccc12 |r|
Show InChI InChI=1S/C30H26FN5O4/c1-18(32-29(38)30(14-15-30)33-28(37)25-17-26(39-2)35-40-25)21-13-12-20(16-23(21)31)36-24-11-7-6-10-22(24)27(34-36)19-8-4-3-5-9-19/h3-13,16-18H,14-15H2,1-2H3,(H,32,38)(H,33,37)/t18-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50347363
PNG
(CHEMBL1801085)
Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r|
Show InChI InChI=1S/C24H21ClFN5O4/c1-13(27-23(33)24(9-10-24)28-22(32)19-12-20(34-2)30-35-19)15-8-7-14(11-17(15)26)31-18-6-4-3-5-16(18)21(25)29-31/h3-8,11-13H,9-10H2,1-2H3,(H,27,33)(H,28,32)/t13-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50347359
PNG
(CHEMBL1801076)
Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1nc(Br)c2ccccc12 |r|
Show InChI InChI=1S/C24H21BrFN5O4/c1-13(27-23(33)24(9-10-24)28-22(32)19-12-20(34-2)30-35-19)15-8-7-14(11-17(15)26)31-18-6-4-3-5-16(18)21(25)29-31/h3-8,11-13H,9-10H2,1-2H3,(H,27,33)(H,28,32)/t13-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50347355
PNG
(CHEMBL1801072)
Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1nc(C)c2ccccc12 |r|
Show InChI InChI=1S/C25H24FN5O4/c1-14(27-24(33)25(10-11-25)28-23(32)21-13-22(34-3)30-35-21)17-9-8-16(12-19(17)26)31-20-7-5-4-6-18(20)15(2)29-31/h4-9,12-14H,10-11H2,1-3H3,(H,27,33)(H,28,32)/t14-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50347362
PNG
(CHEMBL1801079)
Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1nc(C#N)c2ccccc12 |r|
Show InChI InChI=1S/C25H21FN6O4/c1-14(28-24(34)25(9-10-25)29-23(33)21-12-22(35-2)31-36-21)16-8-7-15(11-18(16)26)32-20-6-4-3-5-17(20)19(13-27)30-32/h3-8,11-12,14H,9-10H2,1-2H3,(H,28,34)(H,29,33)/t14-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%