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PubMed code 22444677

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 2


(Homo sapiens (Human))
BDBM50326618
PNG
(CHEMBL1254015 | [11C]-3-(2-methoxyethyl)-4,5-dimet...)
Show SMILES COCCn1c(C)c(C)sc1=NC(=O)C1C(C)(C)C1(C)C |w:11.12|
Show InChI InChI=1S/C16H26N2O2S/c1-10-11(2)21-14(18(10)8-9-20-7)17-13(19)12-15(3,4)16(12,5)6/h12H,8-9H2,1-7H3
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0.640n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380894
PNG
(CHEMBL2019078)
Show SMILES OC(=O)C1(CCCCCCC1)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O
Show InChI InChI=1S/C28H42N2O4/c31-25(29-28(27(33)34)17-11-4-1-5-12-18-28)23-19-22-15-9-2-3-10-16-24(22)30(26(23)32)20-21-13-7-6-8-14-21/h19,21H,1-18,20H2,(H,29,31)(H,33,34)
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6.20n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380896
PNG
(CHEMBL2019081)
Show SMILES OC(=O)C1(CCCCC1)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O
Show InChI InChI=1S/C26H38N2O4/c29-23(27-26(25(31)32)15-9-4-10-16-26)21-17-20-13-7-1-2-8-14-22(20)28(24(21)30)18-19-11-5-3-6-12-19/h17,19H,1-16,18H2,(H,27,29)(H,31,32)
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6.70n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380889
PNG
(CHEMBL2019086)
Show SMILES OC(=O)C1(CCCCC1)NC(=O)c1cc2CCCCCCc2n(Cc2ccc(F)cc2)c1=O
Show InChI InChI=1S/C26H31FN2O4/c27-20-12-10-18(11-13-20)17-29-22-9-5-2-1-4-8-19(22)16-21(24(29)31)23(30)28-26(25(32)33)14-6-3-7-15-26/h10-13,16H,1-9,14-15,17H2,(H,28,30)(H,32,33)
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16n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380892
PNG
(CHEMBL2019090 | S-777469)
Show SMILES CCc1c(C)cc(C(=O)NC2(CCCCC2)C(O)=O)c(=O)n1Cc1ccc(F)cc1
Show InChI InChI=1S/C23H27FN2O4/c1-3-19-15(2)13-18(20(27)25-23(22(29)30)11-5-4-6-12-23)21(28)26(19)14-16-7-9-17(24)10-8-16/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,25,27)(H,29,30)
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36n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380887
PNG
(CHEMBL2019083)
Show SMILES CCCCn1c2CCCCCCc2cc(C(=O)NC2(CCCCC2)C(O)=O)c1=O
Show InChI InChI=1S/C23H34N2O4/c1-2-3-15-25-19-12-8-5-4-7-11-17(19)16-18(21(25)27)20(26)24-23(22(28)29)13-9-6-10-14-23/h16H,2-15H2,1H3,(H,24,26)(H,28,29)
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56n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380900
PNG
(CHEMBL2019080)
Show SMILES OC(=O)C1(CCCC1)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O
Show InChI InChI=1S/C25H36N2O4/c28-22(26-25(24(30)31)14-8-9-15-25)20-16-19-12-6-1-2-7-13-21(19)27(23(20)29)17-18-10-4-3-5-11-18/h16,18H,1-15,17H2,(H,26,28)(H,30,31)
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56n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380886
PNG
(CHEMBL2019082)
Show SMILES OC(=O)[C@@H](NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O)C1CCCCC1 |r|
Show InChI InChI=1S/C27H40N2O4/c30-25(28-24(27(32)33)20-13-8-4-9-14-20)22-17-21-15-7-1-2-10-16-23(21)29(26(22)31)18-19-11-5-3-6-12-19/h17,19-20,24H,1-16,18H2,(H,28,30)(H,32,33)/t24-/m0/s1
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111n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380890
PNG
(CHEMBL2019087)
Show SMILES OC(=O)C1(CCCCC1)NC(=O)c1cc2CCCCCCc2n(Cc2ccc(cc2)C#N)c1=O
Show InChI InChI=1S/C27H31N3O4/c28-17-19-10-12-20(13-11-19)18-30-23-9-5-2-1-4-8-21(23)16-22(25(30)32)24(31)29-27(26(33)34)14-6-3-7-15-27/h10-13,16H,1-9,14-15,18H2,(H,29,31)(H,33,34)
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144n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380895
PNG
(CHEMBL2019079)
Show SMILES OC(=O)CNC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O
Show InChI InChI=1S/C21H30N2O4/c24-19(25)13-22-20(26)17-12-16-10-6-1-2-7-11-18(16)23(21(17)27)14-15-8-4-3-5-9-15/h12,15H,1-11,13-14H2,(H,22,26)(H,24,25)
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177n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380896
PNG
(CHEMBL2019081)
Show SMILES OC(=O)C1(CCCCC1)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O
Show InChI InChI=1S/C26H38N2O4/c29-23(27-26(25(31)32)15-9-4-10-16-26)21-17-20-13-7-1-2-8-14-22(20)28(24(21)30)18-19-11-5-3-6-12-19/h17,19H,1-16,18H2,(H,27,29)(H,31,32)
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181n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB1 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380897
PNG
(CHEMBL2019084)
Show SMILES OC(=O)C1(CCCCC1)NC(=O)c1cc2CCCCCCc2n(CC2CCCO2)c1=O
Show InChI InChI=1S/C24H34N2O5/c27-21(25-24(23(29)30)12-6-3-7-13-24)19-15-17-9-4-1-2-5-11-20(17)26(22(19)28)16-18-10-8-14-31-18/h15,18H,1-14,16H2,(H,25,27)(H,29,30)
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247n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380900
PNG
(CHEMBL2019080)
Show SMILES OC(=O)C1(CCCC1)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O
Show InChI InChI=1S/C25H36N2O4/c28-22(26-25(24(30)31)14-8-9-15-25)20-16-19-12-6-1-2-7-13-21(19)27(23(20)29)17-18-10-4-3-5-11-18/h16,18H,1-15,17H2,(H,26,28)(H,30,31)
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258n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB1 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380893
PNG
(CHEMBL2019091)
Show SMILES CCCc1c(CC)cc(C(=O)NC2(CCCCC2)C(O)=O)c(=O)n1Cc1ccc(F)cc1
Show InChI InChI=1S/C25H31FN2O4/c1-3-8-21-18(4-2)15-20(22(29)27-25(24(31)32)13-6-5-7-14-25)23(30)28(21)16-17-9-11-19(26)12-10-17/h9-12,15H,3-8,13-14,16H2,1-2H3,(H,27,29)(H,31,32)
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263n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380889
PNG
(CHEMBL2019086)
Show SMILES OC(=O)C1(CCCCC1)NC(=O)c1cc2CCCCCCc2n(Cc2ccc(F)cc2)c1=O
Show InChI InChI=1S/C26H31FN2O4/c27-20-12-10-18(11-13-20)17-29-22-9-5-2-1-4-8-19(22)16-21(24(29)31)23(30)28-26(25(32)33)14-6-3-7-15-26/h10-13,16H,1-9,14-15,17H2,(H,28,30)(H,32,33)
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266n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB1 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380888
PNG
(CHEMBL2019092)
Show SMILES COCCn1c2CCCCCCc2cc(C(=O)NC2(CCCCC2)C(O)=O)c1=O
Show InChI InChI=1S/C22H32N2O5/c1-29-14-13-24-18-10-6-3-2-5-9-16(18)15-17(20(24)26)19(25)23-22(21(27)28)11-7-4-8-12-22/h15H,2-14H2,1H3,(H,23,25)(H,27,28)
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294n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380899
PNG
(CHEMBL2019088)
Show SMILES CCCCn1c(CC)c(C)cc(C(=O)NC2(CCCCC2)C(O)=O)c1=O
Show InChI InChI=1S/C20H30N2O4/c1-4-6-12-22-16(5-2)14(3)13-15(18(22)24)17(23)21-20(19(25)26)10-8-7-9-11-20/h13H,4-12H2,1-3H3,(H,21,23)(H,25,26)
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348n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380852
PNG
(CHEMBL2018656)
Show SMILES CC(C)(NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O)C(O)=O
Show InChI InChI=1S/C23H34N2O4/c1-23(2,22(28)29)24-20(26)18-14-17-12-8-3-4-9-13-19(17)25(21(18)27)15-16-10-6-5-7-11-16/h14,16H,3-13,15H2,1-2H3,(H,24,26)(H,28,29)
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349n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380891
PNG
(CHEMBL2019089)
Show SMILES CCCCn1c(CCC)c(Br)cc(C(=O)NC2(CCCCC2)C(O)=O)c1=O
Show InChI InChI=1S/C20H29BrN2O4/c1-3-5-12-23-16(9-4-2)15(21)13-14(18(23)25)17(24)22-20(19(26)27)10-7-6-8-11-20/h13H,3-12H2,1-2H3,(H,22,24)(H,26,27)
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382n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380894
PNG
(CHEMBL2019078)
Show SMILES OC(=O)C1(CCCCCCC1)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O
Show InChI InChI=1S/C28H42N2O4/c31-25(29-28(27(33)34)17-11-4-1-5-12-18-28)23-19-22-15-9-2-3-10-16-24(22)30(26(23)32)20-21-13-7-6-8-14-21/h19,21H,1-18,20H2,(H,29,31)(H,33,34)
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793n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB1 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380895
PNG
(CHEMBL2019079)
Show SMILES OC(=O)CNC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O
Show InChI InChI=1S/C21H30N2O4/c24-19(25)13-22-20(26)17-12-16-10-6-1-2-7-11-18(16)23(21(17)27)14-15-8-4-3-5-9-15/h12,15H,1-11,13-14H2,(H,22,26)(H,24,25)
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1.06E+3n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB1 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380852
PNG
(CHEMBL2018656)
Show SMILES CC(C)(NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O)C(O)=O
Show InChI InChI=1S/C23H34N2O4/c1-23(2,22(28)29)24-20(26)18-14-17-12-8-3-4-9-13-19(17)25(21(18)27)15-16-10-6-5-7-11-16/h14,16H,3-13,15H2,1-2H3,(H,24,26)(H,28,29)
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1.35E+3n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB1 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380898
PNG
(CHEMBL2019085)
Show SMILES CCN1CCCC1Cn1c2CCCCCCc2cc(C(=O)NC2(CCCCC2)C(O)=O)c1=O
Show InChI InChI=1S/C26H39N3O4/c1-2-28-16-10-12-20(28)18-29-22-13-7-4-3-6-11-19(22)17-21(24(29)31)23(30)27-26(25(32)33)14-8-5-9-15-26/h17,20H,2-16,18H2,1H3,(H,27,30)(H,32,33)
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2.11E+3n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380886
PNG
(CHEMBL2019082)
Show SMILES OC(=O)[C@@H](NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O)C1CCCCC1 |r|
Show InChI InChI=1S/C27H40N2O4/c30-25(28-24(27(32)33)20-13-8-4-9-14-20)22-17-21-15-7-1-2-10-16-23(21)29(26(22)31)18-19-11-5-3-6-12-19/h17,19-20,24H,1-16,18H2,(H,28,30)(H,32,33)/t24-/m0/s1
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3.06E+3n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB1 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380890
PNG
(CHEMBL2019087)
Show SMILES OC(=O)C1(CCCCC1)NC(=O)c1cc2CCCCCCc2n(Cc2ccc(cc2)C#N)c1=O
Show InChI InChI=1S/C27H31N3O4/c28-17-19-10-12-20(13-11-19)18-30-23-9-5-2-1-4-8-21(23)16-22(25(30)32)24(31)29-27(26(33)34)14-6-3-7-15-27/h10-13,16H,1-9,14-15,18H2,(H,29,31)(H,33,34)
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3.95E+3n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB1 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380892
PNG
(CHEMBL2019090 | S-777469)
Show SMILES CCc1c(C)cc(C(=O)NC2(CCCCC2)C(O)=O)c(=O)n1Cc1ccc(F)cc1
Show InChI InChI=1S/C23H27FN2O4/c1-3-19-15(2)13-18(20(27)25-23(22(29)30)11-5-4-6-12-23)21(28)26(19)14-16-7-9-17(24)10-8-16/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,25,27)(H,29,30)
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4.07E+3n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB1 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380891
PNG
(CHEMBL2019089)
Show SMILES CCCCn1c(CCC)c(Br)cc(C(=O)NC2(CCCCC2)C(O)=O)c1=O
Show InChI InChI=1S/C20H29BrN2O4/c1-3-5-12-23-16(9-4-2)15(21)13-14(18(23)25)17(24)22-20(19(26)27)10-7-6-8-11-20/h13H,3-12H2,1-2H3,(H,22,24)(H,26,27)
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>5.00E+3n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB1 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380888
PNG
(CHEMBL2019092)
Show SMILES COCCn1c2CCCCCCc2cc(C(=O)NC2(CCCCC2)C(O)=O)c1=O
Show InChI InChI=1S/C22H32N2O5/c1-29-14-13-24-18-10-6-3-2-5-9-16(18)15-17(20(24)26)19(25)23-22(21(27)28)11-7-4-8-12-22/h15H,2-14H2,1H3,(H,23,25)(H,27,28)
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>5.00E+3n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB1 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380897
PNG
(CHEMBL2019084)
Show SMILES OC(=O)C1(CCCCC1)NC(=O)c1cc2CCCCCCc2n(CC2CCCO2)c1=O
Show InChI InChI=1S/C24H34N2O5/c27-21(25-24(23(29)30)12-6-3-7-13-24)19-15-17-9-4-1-2-5-11-20(17)26(22(19)28)16-18-10-8-14-31-18/h15,18H,1-14,16H2,(H,25,27)(H,29,30)
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>5.00E+3n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB1 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380887
PNG
(CHEMBL2019083)
Show SMILES CCCCn1c2CCCCCCc2cc(C(=O)NC2(CCCCC2)C(O)=O)c1=O
Show InChI InChI=1S/C23H34N2O4/c1-2-3-15-25-19-12-8-5-4-7-11-17(19)16-18(21(25)27)20(26)24-23(22(28)29)13-9-6-10-14-23/h16H,2-15H2,1H3,(H,24,26)(H,28,29)
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>5.00E+3n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB1 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380893
PNG
(CHEMBL2019091)
Show SMILES CCCc1c(CC)cc(C(=O)NC2(CCCCC2)C(O)=O)c(=O)n1Cc1ccc(F)cc1
Show InChI InChI=1S/C25H31FN2O4/c1-3-8-21-18(4-2)15-20(22(29)27-25(24(31)32)13-6-5-7-14-25)23(30)28(21)16-17-9-11-19(26)12-10-17/h9-12,15H,3-8,13-14,16H2,1-2H3,(H,27,29)(H,31,32)
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>5.00E+3n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB1 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380894
PNG
(CHEMBL2019078)
Show SMILES OC(=O)C1(CCCCCCC1)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O
Show InChI InChI=1S/C28H42N2O4/c31-25(29-28(27(33)34)17-11-4-1-5-12-18-28)23-19-22-15-9-2-3-10-16-24(22)30(26(23)32)20-21-13-7-6-8-14-21/h19,21H,1-18,20H2,(H,29,31)(H,33,34)
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n/an/a 1n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP release after 45 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380887
PNG
(CHEMBL2019083)
Show SMILES CCCCn1c2CCCCCCc2cc(C(=O)NC2(CCCCC2)C(O)=O)c1=O
Show InChI InChI=1S/C23H34N2O4/c1-2-3-15-25-19-12-8-5-4-7-11-17(19)16-18(21(25)27)20(26)24-23(22(28)29)13-9-6-10-14-23/h16H,2-15H2,1H3,(H,24,26)(H,28,29)
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n/an/a 7n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP release after 45 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380896
PNG
(CHEMBL2019081)
Show SMILES OC(=O)C1(CCCCC1)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O
Show InChI InChI=1S/C26H38N2O4/c29-23(27-26(25(31)32)15-9-4-10-16-26)21-17-20-13-7-1-2-8-14-22(20)28(24(21)30)18-19-11-5-3-6-12-19/h17,19H,1-16,18H2,(H,27,29)(H,31,32)
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n/an/a 7n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP release after 45 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380889
PNG
(CHEMBL2019086)
Show SMILES OC(=O)C1(CCCCC1)NC(=O)c1cc2CCCCCCc2n(Cc2ccc(F)cc2)c1=O
Show InChI InChI=1S/C26H31FN2O4/c27-20-12-10-18(11-13-20)17-29-22-9-5-2-1-4-8-19(22)16-21(24(29)31)23(30)28-26(25(32)33)14-6-3-7-15-26/h10-13,16H,1-9,14-15,17H2,(H,28,30)(H,32,33)
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n/an/a 9n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP release after 45 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380900
PNG
(CHEMBL2019080)
Show SMILES OC(=O)C1(CCCC1)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O
Show InChI InChI=1S/C25H36N2O4/c28-22(26-25(24(30)31)14-8-9-15-25)20-16-19-12-6-1-2-7-13-21(19)27(23(20)29)17-18-10-4-3-5-11-18/h16,18H,1-15,17H2,(H,26,28)(H,30,31)
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n/an/a 14n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP release after 45 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380892
PNG
(CHEMBL2019090 | S-777469)
Show SMILES CCc1c(C)cc(C(=O)NC2(CCCCC2)C(O)=O)c(=O)n1Cc1ccc(F)cc1
Show InChI InChI=1S/C23H27FN2O4/c1-3-19-15(2)13-18(20(27)25-23(22(29)30)11-5-4-6-12-23)21(28)26(19)14-16-7-9-17(24)10-8-16/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,25,27)(H,29,30)
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n/an/a 24n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP release after 45 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380886
PNG
(CHEMBL2019082)
Show SMILES OC(=O)[C@@H](NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O)C1CCCCC1 |r|
Show InChI InChI=1S/C27H40N2O4/c30-25(28-24(27(32)33)20-13-8-4-9-14-20)22-17-21-15-7-1-2-10-16-23(21)29(26(22)31)18-19-11-5-3-6-12-19/h17,19-20,24H,1-16,18H2,(H,28,30)(H,32,33)/t24-/m0/s1
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n/an/a 51n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP release after 45 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380896
PNG
(CHEMBL2019081)
Show SMILES OC(=O)C1(CCCCC1)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O
Show InChI InChI=1S/C26H38N2O4/c29-23(27-26(25(31)32)15-9-4-10-16-26)21-17-20-13-7-1-2-8-14-22(20)28(24(21)30)18-19-11-5-3-6-12-19/h17,19H,1-16,18H2,(H,27,29)(H,31,32)
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n/an/a 76n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP release after 25 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380900
PNG
(CHEMBL2019080)
Show SMILES OC(=O)C1(CCCC1)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O
Show InChI InChI=1S/C25H36N2O4/c28-22(26-25(24(30)31)14-8-9-15-25)20-16-19-12-6-1-2-7-13-21(19)27(23(20)29)17-18-10-4-3-5-11-18/h16,18H,1-15,17H2,(H,26,28)(H,30,31)
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n/an/a 113n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP release after 25 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380894
PNG
(CHEMBL2019078)
Show SMILES OC(=O)C1(CCCCCCC1)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O
Show InChI InChI=1S/C28H42N2O4/c31-25(29-28(27(33)34)17-11-4-1-5-12-18-28)23-19-22-15-9-2-3-10-16-24(22)30(26(23)32)20-21-13-7-6-8-14-21/h19,21H,1-18,20H2,(H,29,31)(H,33,34)
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n/an/a 468n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP release after 25 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380889
PNG
(CHEMBL2019086)
Show SMILES OC(=O)C1(CCCCC1)NC(=O)c1cc2CCCCCCc2n(Cc2ccc(F)cc2)c1=O
Show InChI InChI=1S/C26H31FN2O4/c27-20-12-10-18(11-13-20)17-29-22-9-5-2-1-4-8-19(22)16-21(24(29)31)23(30)28-26(25(32)33)14-6-3-7-15-26/h10-13,16H,1-9,14-15,17H2,(H,28,30)(H,32,33)
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n/an/a 514n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP release after 25 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380892
PNG
(CHEMBL2019090 | S-777469)
Show SMILES CCc1c(C)cc(C(=O)NC2(CCCCC2)C(O)=O)c(=O)n1Cc1ccc(F)cc1
Show InChI InChI=1S/C23H27FN2O4/c1-3-19-15(2)13-18(20(27)25-23(22(29)30)11-5-4-6-12-23)21(28)26(19)14-16-7-9-17(24)10-8-16/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,25,27)(H,29,30)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP release after 25 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380886
PNG
(CHEMBL2019082)
Show SMILES OC(=O)[C@@H](NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O)C1CCCCC1 |r|
Show InChI InChI=1S/C27H40N2O4/c30-25(28-24(27(32)33)20-13-8-4-9-14-20)22-17-21-15-7-1-2-10-16-23(21)29(26(22)31)18-19-11-5-3-6-12-19/h17,19-20,24H,1-16,18H2,(H,28,30)(H,32,33)/t24-/m0/s1
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n/an/a>2.00E+3n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP release after 25 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380887
PNG
(CHEMBL2019083)
Show SMILES CCCCn1c2CCCCCCc2cc(C(=O)NC2(CCCCC2)C(O)=O)c1=O
Show InChI InChI=1S/C23H34N2O4/c1-2-3-15-25-19-12-8-5-4-7-11-17(19)16-18(21(25)27)20(26)24-23(22(28)29)13-9-6-10-14-23/h16H,2-15H2,1H3,(H,24,26)(H,28,29)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP release after 25 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%