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Compile Data Set for Download or QSAR

Found 512 hits with Last Name = 'morioka' and Initial = 'y'   
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))
BDBM50491838
PNG
(CHEMBL2387185)
Show SMILES CCCCn1c2CCCCCCc2cc(C(=O)NC(C)(C)c2ccccc2)c1=O
Show InChI InChI=1S/C25H34N2O2/c1-4-5-17-27-22-16-12-7-6-9-13-19(22)18-21(24(27)29)23(28)26-25(2,3)20-14-10-8-11-15-20/h8,10-11,14-15,18H,4-7,9,12-13,16-17H2,1-3H3,(H,26,28)
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0.100n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB2 receptor expressed in CHO cell membranes


Bioorg Med Chem 21: 3154-63 (2013)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50491839
PNG
(CHEMBL2387183)
Show SMILES CCCCn1c2CCCCCCc2cc(C(=O)NC2CCCCC2)c1=O
Show InChI InChI=1S/C22H34N2O2/c1-2-3-15-24-20-14-10-5-4-7-11-17(20)16-19(22(24)26)21(25)23-18-12-8-6-9-13-18/h16,18H,2-15H2,1H3,(H,23,25)
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0.200n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB2 receptor expressed in CHO cell membranes


Bioorg Med Chem 21: 3154-63 (2013)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213889
PNG
(3-[(Z)-5,6,7,8-tetrahydro-naphthalen-1-ylimino]-2-...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc2CCCCc12
Show InChI InChI=1S/C21H28N2S3/c1-25-20(24)23-14-21(12-5-2-6-13-21)15-26-19(23)22-18-11-7-9-16-8-3-4-10-17(16)18/h7,9,11H,2-6,8,10,12-15H2,1H3/b22-19-
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0.200n/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 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
BindingDB Entry DOI: 10.7270/Q2RX9BR5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380851
PNG
(CHEMBL2018655)
Show SMILES COC(=O)C(C)(C)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O
Show InChI InChI=1S/C24H36N2O4/c1-24(2,23(29)30-3)25-21(27)19-15-18-13-9-4-5-10-14-20(18)26(22(19)28)16-17-11-7-6-8-12-17/h15,17H,4-14,16H2,1-3H3,(H,25,27)
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0.300n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB2 receptor by scatchard plot analysis


Bioorg Med Chem Lett 22: 2894-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.054
BindingDB Entry DOI: 10.7270/Q2NV9K85
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380856
PNG
(CHEMBL2018660)
Show SMILES CC(C)(NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O)C(=O)NCCOCCO
Show InChI InChI=1S/C27H43N3O5/c1-27(2,26(34)28-14-16-35-17-15-31)29-24(32)22-18-21-12-8-3-4-9-13-23(21)30(25(22)33)19-20-10-6-5-7-11-20/h18,20,31H,3-17,19H2,1-2H3,(H,28,34)(H,29,32)
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0.600n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB2 receptor by scatchard plot analysis


Bioorg Med Chem Lett 22: 2894-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.054
BindingDB Entry DOI: 10.7270/Q2NV9K85
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380853
PNG
(CHEMBL2018657)
Show SMILES CN(CCO)C(=O)C(C)(C)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O
Show InChI InChI=1S/C26H41N3O4/c1-26(2,25(33)28(3)15-16-30)27-23(31)21-17-20-13-9-4-5-10-14-22(20)29(24(21)32)18-19-11-7-6-8-12-19/h17,19,30H,4-16,18H2,1-3H3,(H,27,31)
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0.600n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB2 receptor by scatchard plot analysis


Bioorg Med Chem Lett 22: 2894-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.054
BindingDB Entry DOI: 10.7270/Q2NV9K85
More data for this
Ligand-Target Pair
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
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
BindingDB Entry DOI: 10.7270/Q2DB82VV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50213889
PNG
(3-[(Z)-5,6,7,8-tetrahydro-naphthalen-1-ylimino]-2-...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc2CCCCc12
Show InChI InChI=1S/C21H28N2S3/c1-25-20(24)23-14-21(12-5-2-6-13-21)15-26-19(23)22-18-11-7-9-16-8-3-4-10-17(16)18/h7,9,11H,2-6,8,10,12-15H2,1H3/b22-19-
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0.700n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to mouse CB2 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
BindingDB Entry DOI: 10.7270/Q2RX9BR5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50256379
PNG
(CHEMBL482356 | methyl 3-(4-chloronaphthalen-1-ylim...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(Cl)c2ccccc12
Show InChI InChI=1S/C21H23ClN2OS2/c1-27-20(26)24-13-21(11-5-2-6-12-21)14-25-19(24)23-18-10-9-17(22)15-7-3-4-8-16(15)18/h3-4,7-10H,2,5-6,11-14H2,1H3/b23-19-
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0.700n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to mouse CB1 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213881
PNG
(3-[(Z)-2-isopropyl-phenylimino]-2-thia-4-aza-spiro...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1ccccc1C(C)C
Show InChI InChI=1S/C20H28N2S3/c1-15(2)16-9-5-6-10-17(16)21-18-22(19(23)24-3)13-20(14-25-18)11-7-4-8-12-20/h5-6,9-10,15H,4,7-8,11-14H2,1-3H3/b21-18-
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0.800n/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 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
BindingDB Entry DOI: 10.7270/Q2RX9BR5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50256378
PNG
(CHEMBL482355 | methyl 3-(4-fluoronaphthalen-1-ylim...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(F)c2ccccc12
Show InChI InChI=1S/C21H23FN2OS2/c1-27-20(26)24-13-21(11-5-2-6-12-21)14-25-19(24)23-18-10-9-17(22)15-7-3-4-8-16(15)18/h3-4,7-10H,2,5-6,11-14H2,1H3/b23-19-
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0.800n/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 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50256315
PNG
(CHEMBL469895 | methyl 3-(2-methoxyphenylimino)-2-o...)
Show SMILES COc1ccccc1\N=C1/OCC2(CCCCC2)CN1C(=S)SC
Show InChI InChI=1S/C18H24N2O2S2/c1-21-15-9-5-4-8-14(15)19-16-20(17(23)24-2)12-18(13-22-16)10-6-3-7-11-18/h4-5,8-9H,3,6-7,10-13H2,1-2H3/b19-16-
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0.900n/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 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50256218
PNG
(CHEMBL516406 | methyl 3-(naphthalen-1-ylimino)-2-o...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1cccc2ccccc12
Show InChI InChI=1S/C21H24N2OS2/c1-26-20(25)23-14-21(12-5-2-6-13-21)15-24-19(23)22-18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11H,2,5-6,12-15H2,1H3/b22-19-
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0.900n/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 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50256318
PNG
(CHEMBL481508 | methyl 3-(3-tert-butylisoxazol-5-yl...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1cc(no1)C(C)(C)C
Show InChI InChI=1S/C18H27N3O2S2/c1-17(2,3)13-10-14(23-20-13)19-15-21(16(24)25-4)11-18(12-22-15)8-6-5-7-9-18/h10H,5-9,11-12H2,1-4H3/b19-15-
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0.900n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213900
PNG
(3-[(Z)-benzo[1,2,5]oxadiazol-4-ylimino]-2-thia-4-a...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc2nonc12
Show InChI InChI=1S/C17H20N4OS3/c1-24-16(23)21-10-17(8-3-2-4-9-17)11-25-15(21)18-12-6-5-7-13-14(12)20-22-19-13/h5-7H,2-4,8-11H2,1H3/b18-15-
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0.900n/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 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
BindingDB Entry DOI: 10.7270/Q2RX9BR5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50491833
PNG
(CHEMBL2387178)
Show SMILES CC(C)CCn1c2CCCCCCc2cc(C(=O)NCc2ccccc2)c1=O
Show InChI InChI=1S/C24H32N2O2/c1-18(2)14-15-26-22-13-9-4-3-8-12-20(22)16-21(24(26)28)23(27)25-17-19-10-6-5-7-11-19/h5-7,10-11,16,18H,3-4,8-9,12-15,17H2,1-2H3,(H,25,27)
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0.900n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB2 receptor expressed in CHO cell membranes


Bioorg Med Chem 21: 3154-63 (2013)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50256379
PNG
(CHEMBL482356 | methyl 3-(4-chloronaphthalen-1-ylim...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(Cl)c2ccccc12
Show InChI InChI=1S/C21H23ClN2OS2/c1-27-20(26)24-13-21(11-5-2-6-12-21)14-25-19(24)23-18-10-9-17(22)15-7-3-4-8-16(15)18/h3-4,7-10H,2,5-6,11-14H2,1H3/b23-19-
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0.900n/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 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213891
PNG
(3-[(Z)-3-methoxy-phenylimino]-2-thia-4-aza-spiro[5...)
Show SMILES COc1cccc(c1)\N=C1/SCC2(CCCCC2)CN1C(=S)SC
Show InChI InChI=1S/C18H24N2OS3/c1-21-15-8-6-7-14(11-15)19-16-20(17(22)23-2)12-18(13-24-16)9-4-3-5-10-18/h6-8,11H,3-5,9-10,12-13H2,1-2H3/b19-16-
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1n/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 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
BindingDB Entry DOI: 10.7270/Q2RX9BR5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50256318
PNG
(CHEMBL481508 | methyl 3-(3-tert-butylisoxazol-5-yl...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1cc(no1)C(C)(C)C
Show InChI InChI=1S/C18H27N3O2S2/c1-17(2,3)13-10-14(23-20-13)19-15-21(16(24)25-4)11-18(12-22-15)8-6-5-7-9-18/h10H,5-9,11-12H2,1-4H3/b19-15-
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1n/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 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213883
PNG
(3-[(Z)-2,3-dimethyl-phenylimino]-2-thia-4-aza-spir...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc(C)c1C
Show InChI InChI=1S/C19H26N2S3/c1-14-8-7-9-16(15(14)2)20-17-21(18(22)23-3)12-19(13-24-17)10-5-4-6-11-19/h7-9H,4-6,10-13H2,1-3H3/b20-17-
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1n/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 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
BindingDB Entry DOI: 10.7270/Q2RX9BR5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50491838
PNG
(CHEMBL2387185)
Show SMILES CCCCn1c2CCCCCCc2cc(C(=O)NC(C)(C)c2ccccc2)c1=O
Show InChI InChI=1S/C25H34N2O2/c1-4-5-17-27-22-16-12-7-6-9-13-19(22)18-21(24(27)29)23(28)26-25(2,3)20-14-10-8-11-15-20/h8,10-11,14-15,18H,4-7,9,12-13,16-17H2,1-3H3,(H,26,28)
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1n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB1 receptor expressed in CHO cell membranes


Bioorg Med Chem 21: 3154-63 (2013)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213888
PNG
(8-[(Z)-2-isopropyl-phenylimino]-7-thia-9-aza-spiro...)
Show SMILES CSC(=S)N1CC2(CCCC2)CS\C1=N/c1ccccc1C(C)C
Show InChI InChI=1S/C19H26N2S3/c1-14(2)15-8-4-5-9-16(15)20-17-21(18(22)23-3)12-19(13-24-17)10-6-7-11-19/h4-5,8-9,14H,6-7,10-13H2,1-3H3/b20-17-
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1n/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 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
BindingDB Entry DOI: 10.7270/Q2RX9BR5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50256317
PNG
(CHEMBL511790 | methyl 3-(4-tert-butylthiazol-2-yli...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1nc(cs1)C(C)(C)C
Show InChI InChI=1S/C18H27N3OS3/c1-17(2,3)13-10-25-14(19-13)20-15-21(16(23)24-4)11-18(12-22-15)8-6-5-7-9-18/h10H,5-9,11-12H2,1-4H3/b20-15-
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1n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50256319
PNG
(CHEMBL519288 | methyl 3-(3-(3-ethylpentan-3-yl)iso...)
Show SMILES CCC(CC)(CC)c1cc(\N=C2/OCC3(CCCCC3)CN2C(=S)SC)on1
Show InChI InChI=1S/C21H33N3O2S2/c1-5-21(6-2,7-3)16-13-17(26-23-16)22-18-24(19(27)28-4)14-20(15-25-18)11-9-8-10-12-20/h13H,5-12,14-15H2,1-4H3/b22-18-
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1n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50256317
PNG
(CHEMBL511790 | methyl 3-(4-tert-butylthiazol-2-yli...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1nc(cs1)C(C)(C)C
Show InChI InChI=1S/C18H27N3OS3/c1-17(2,3)13-10-25-14(19-13)20-15-21(16(23)24-4)11-18(12-22-15)8-6-5-7-9-18/h10H,5-9,11-12H2,1-4H3/b20-15-
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1n/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 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380854
PNG
(CHEMBL2018658)
Show SMILES CC(C)(NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O)C(=O)NCCCO
Show InChI InChI=1S/C26H41N3O4/c1-26(2,25(33)27-15-10-16-30)28-23(31)21-17-20-13-8-3-4-9-14-22(20)29(24(21)32)18-19-11-6-5-7-12-19/h17,19,30H,3-16,18H2,1-2H3,(H,27,33)(H,28,31)
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1n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB2 receptor by scatchard plot analysis


Bioorg Med Chem Lett 22: 2894-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.054
BindingDB Entry DOI: 10.7270/Q2NV9K85
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50256319
PNG
(CHEMBL519288 | methyl 3-(3-(3-ethylpentan-3-yl)iso...)
Show SMILES CCC(CC)(CC)c1cc(\N=C2/OCC3(CCCCC3)CN2C(=S)SC)on1
Show InChI InChI=1S/C21H33N3O2S2/c1-5-21(6-2,7-3)16-13-17(26-23-16)22-18-24(19(27)28-4)14-20(15-25-18)11-9-8-10-12-20/h13H,5-12,14-15H2,1-4H3/b22-18-
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1n/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 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50256431
PNG
(CHEMBL480578 | methyl 3-(5,6,7,8-tetrahydronaphtha...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1cccc2CCCCc12
Show InChI InChI=1S/C21H28N2OS2/c1-26-20(25)23-14-21(12-5-2-6-13-21)15-24-19(23)22-18-11-7-9-16-8-3-4-10-17(16)18/h7,9,11H,2-6,8,10,12-15H2,1H3/b22-19-
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1n/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 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213893
PNG
(3-[(Z)-1-methyl-1,2,3,4-tetrahydro-quinolin-5-ylim...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc2N(C)CCCc12
Show InChI InChI=1S/C21H29N3S3/c1-23-13-7-8-16-17(9-6-10-18(16)23)22-19-24(20(25)26-2)14-21(15-27-19)11-4-3-5-12-21/h6,9-10H,3-5,7-8,11-15H2,1-2H3/b22-19-
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1.10n/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 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
BindingDB Entry DOI: 10.7270/Q2RX9BR5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213885
PNG
(3-[(Z)-2-trifluoromethyl-phenylimino]-2-thia-4-aza...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1ccccc1C(F)(F)F
Show InChI InChI=1S/C18H21F3N2S3/c1-25-16(24)23-11-17(9-5-2-6-10-17)12-26-15(23)22-14-8-4-3-7-13(14)18(19,20)21/h3-4,7-8H,2,5-6,9-12H2,1H3/b22-15-
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1.10n/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 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
BindingDB Entry DOI: 10.7270/Q2RX9BR5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213899
PNG
(3-[(Z)-2-methoxy-phenylimino]-2-thia-4-aza-spiro[5...)
Show SMILES COc1ccccc1\N=C1/SCC2(CCCCC2)CN1C(=S)SC
Show InChI InChI=1S/C18H24N2OS3/c1-21-15-9-5-4-8-14(15)19-16-20(17(22)23-2)12-18(13-24-16)10-6-3-7-11-18/h4-5,8-9H,3,6-7,10-13H2,1-2H3/b19-16-
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1.10n/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 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
BindingDB Entry DOI: 10.7270/Q2RX9BR5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380861
PNG
(CHEMBL2018664)
Show SMILES CC(C)(NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O)C(=O)N1CCC(O)CC1
Show InChI InChI=1S/C28H43N3O4/c1-28(2,27(35)30-16-14-22(32)15-17-30)29-25(33)23-18-21-12-8-3-4-9-13-24(21)31(26(23)34)19-20-10-6-5-7-11-20/h18,20,22,32H,3-17,19H2,1-2H3,(H,29,33)
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1.10n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB2 receptor by scatchard plot analysis


Bioorg Med Chem Lett 22: 2894-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.054
BindingDB Entry DOI: 10.7270/Q2NV9K85
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50213881
PNG
(3-[(Z)-2-isopropyl-phenylimino]-2-thia-4-aza-spiro...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1ccccc1C(C)C
Show InChI InChI=1S/C20H28N2S3/c1-15(2)16-9-5-6-10-17(16)21-18-22(19(23)24-3)13-20(14-25-18)11-7-4-8-12-20/h5-6,9-10,15H,4,7-8,11-14H2,1-3H3/b21-18-
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1.20n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to mouse CB2 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
BindingDB Entry DOI: 10.7270/Q2RX9BR5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380855
PNG
(CHEMBL2018659)
Show SMILES CC(C)(NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O)C(=O)NCCCCCO
Show InChI InChI=1S/C28H45N3O4/c1-28(2,27(35)29-17-11-6-12-18-32)30-25(33)23-19-22-15-9-3-4-10-16-24(22)31(26(23)34)20-21-13-7-5-8-14-21/h19,21,32H,3-18,20H2,1-2H3,(H,29,35)(H,30,33)
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1.20n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB2 receptor by scatchard plot analysis


Bioorg Med Chem Lett 22: 2894-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.054
BindingDB Entry DOI: 10.7270/Q2NV9K85
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213904
PNG
(3-[(Z)-4-ethyl-phenylimino]-2-thia-4-aza-spiro[5.5...)
Show SMILES CCc1ccc(cc1)\N=C1/SCC2(CCCCC2)CN1C(=S)SC
Show InChI InChI=1S/C19H26N2S3/c1-3-15-7-9-16(10-8-15)20-17-21(18(22)23-2)13-19(14-24-17)11-5-4-6-12-19/h7-10H,3-6,11-14H2,1-2H3/b20-17-
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1.20n/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 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
BindingDB Entry DOI: 10.7270/Q2RX9BR5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50382747
PNG
(CHEMBL2023045)
Show SMILES OC(=O)[C@@H](NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O)c1ccccc1
Show InChI InChI=1S/C27H34N2O4/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/h4,8-9,13-14,17,19,24H,1-3,5-7,10-12,15-16,18H2,(H,28,30)(H,32,33)/t24-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor membrane fractions


Bioorg Med Chem Lett 22: 2898-901 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.050
BindingDB Entry DOI: 10.7270/Q2Q81F30
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213884
PNG
(3-[(Z)-benzo[1,2,5]thiadiazol-4-ylimino]-2-thia-4-...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc2nsnc12
Show InChI InChI=1S/C17H20N4S4/c1-23-16(22)21-10-17(8-3-2-4-9-17)11-24-15(21)18-12-6-5-7-13-14(12)20-25-19-13/h5-7H,2-4,8-11H2,1H3/b18-15-
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1.30n/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 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
BindingDB Entry DOI: 10.7270/Q2RX9BR5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50256219
PNG
(CHEMBL475772 | S-methyl 3-(naphthalen-1-ylimino)-2...)
Show SMILES CSC(=O)N1CC2(CCCCC2)CS\C1=N/c1cccc2ccccc12
Show InChI InChI=1S/C21H24N2OS2/c1-25-20(24)23-14-21(12-5-2-6-13-21)15-26-19(23)22-18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11H,2,5-6,12-15H2,1H3/b22-19-
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1.5n/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 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50491842
PNG
(CHEMBL2387078)
Show SMILES CCCCn1c2CCCCCCc2cc(C(=O)NCc2ccccc2)c1=O
Show InChI InChI=1S/C23H30N2O2/c1-2-3-15-25-21-14-10-5-4-9-13-19(21)16-20(23(25)27)22(26)24-17-18-11-7-6-8-12-18/h6-8,11-12,16H,2-5,9-10,13-15,17H2,1H3,(H,24,26)
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1.5n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB2 receptor expressed in CHO cell membranes


Bioorg Med Chem 21: 3154-63 (2013)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50491840
PNG
(CHEMBL2387186)
Show SMILES CCCCn1c2CCCCCCc2cc(C(=O)NCCc2ccccc2)c1=O
Show InChI InChI=1S/C24H32N2O2/c1-2-3-17-26-22-14-10-5-4-9-13-20(22)18-21(24(26)28)23(27)25-16-15-19-11-7-6-8-12-19/h6-8,11-12,18H,2-5,9-10,13-17H2,1H3,(H,25,27)
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1.60n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB2 receptor expressed in CHO cell membranes


Bioorg Med Chem 21: 3154-63 (2013)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380851
PNG
(CHEMBL2018655)
Show SMILES COC(=O)C(C)(C)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O
Show InChI InChI=1S/C24H36N2O4/c1-24(2,23(29)30-3)25-21(27)19-15-18-13-9-4-5-10-14-20(18)26(22(19)28)16-17-11-7-6-8-12-17/h15,17H,4-14,16H2,1-3H3,(H,25,27)
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1.70n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB1 receptor by scatchard plot analysis


Bioorg Med Chem Lett 22: 2894-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.054
BindingDB Entry DOI: 10.7270/Q2NV9K85
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50256380
PNG
(CHEMBL482357 | methyl 3-(4-cyanonaphthalen-1-ylimi...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(C#N)c2ccccc12
Show InChI InChI=1S/C22H23N3OS2/c1-28-21(27)25-14-22(11-5-2-6-12-22)15-26-20(25)24-19-10-9-16(13-23)17-7-3-4-8-18(17)19/h3-4,7-10H,2,5-6,11-12,14-15H2,1H3/b24-20-
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1.80n/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 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50256433
PNG
(CHEMBL481888 | methyl 3-(4-cyano-5,6,7,8-tetrahydr...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(C#N)c2CCCCc12
Show InChI InChI=1S/C22H27N3OS2/c1-28-21(27)25-14-22(11-5-2-6-12-22)15-26-20(25)24-19-10-9-16(13-23)17-7-3-4-8-18(17)19/h9-10H,2-8,11-12,14-15H2,1H3/b24-20-
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1.90n/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 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
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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2.20n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 17: 4030-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.093
BindingDB Entry DOI: 10.7270/Q2P55N60
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213887
PNG
(3-[(Z)-4-cyano-phenylimino]-2-thia-4-aza-spiro[5.5...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1ccc(cc1)C#N
Show InChI InChI=1S/C18H21N3S3/c1-23-17(22)21-12-18(9-3-2-4-10-18)13-24-16(21)20-15-7-5-14(11-19)6-8-15/h5-8H,2-4,9-10,12-13H2,1H3/b20-16-
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2.30n/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 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
BindingDB Entry DOI: 10.7270/Q2RX9BR5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50256381
PNG
(CHEMBL519635 | methyl 3-(4-nitronaphthalen-1-ylimi...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc([N+]([O-])=O)c2ccccc12
Show InChI InChI=1S/C21H23N3O3S2/c1-29-20(28)23-13-21(11-5-2-6-12-21)14-27-19(23)22-17-9-10-18(24(25)26)16-8-4-3-7-15(16)17/h3-4,7-10H,2,5-6,11-14H2,1H3/b22-19-
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2.40n/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 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213897
PNG
(3-[(Z)-3-isopropyl-phenylimino]-2-thia-4-aza-spiro...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc(c1)C(C)C
Show InChI InChI=1S/C20H28N2S3/c1-15(2)16-8-7-9-17(12-16)21-18-22(19(23)24-3)13-20(14-25-18)10-5-4-6-11-20/h7-9,12,15H,4-6,10-11,13-14H2,1-3H3/b21-18-
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2.5n/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 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
BindingDB Entry DOI: 10.7270/Q2RX9BR5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380858
PNG
(CHEMBL2018662)
Show SMILES CC(=O)NCCNC(=O)C(C)(C)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O
Show InChI InChI=1S/C27H42N4O4/c1-19(32)28-15-16-29-26(35)27(2,3)30-24(33)22-17-21-13-9-4-5-10-14-23(21)31(25(22)34)18-20-11-7-6-8-12-20/h17,20H,4-16,18H2,1-3H3,(H,28,32)(H,29,35)(H,30,33)
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2.5n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB2 receptor by scatchard plot analysis


Bioorg Med Chem Lett 22: 2894-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.054
BindingDB Entry DOI: 10.7270/Q2NV9K85
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380864
PNG
(CHEMBL2018780)
Show SMILES CC(C)(NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O)C(=O)NN
Show InChI InChI=1S/C23H36N4O3/c1-23(2,22(30)26-24)25-20(28)18-14-17-12-8-3-4-9-13-19(17)27(21(18)29)15-16-10-6-5-7-11-16/h14,16H,3-13,15,24H2,1-2H3,(H,25,28)(H,26,30)
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2.80n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB2 receptor by scatchard plot analysis


Bioorg Med Chem Lett 22: 2894-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.054
BindingDB Entry DOI: 10.7270/Q2NV9K85
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380853
PNG
(CHEMBL2018657)
Show SMILES CN(CCO)C(=O)C(C)(C)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O
Show InChI InChI=1S/C26H41N3O4/c1-26(2,25(33)28(3)15-16-30)27-23(31)21-17-20-13-9-4-5-10-14-22(20)29(24(21)32)18-19-11-7-6-8-12-19/h17,19,30H,4-16,18H2,1-3H3,(H,27,31)
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2.90n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB1 receptor by scatchard plot analysis


Bioorg Med Chem Lett 22: 2894-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.054
BindingDB Entry DOI: 10.7270/Q2NV9K85
More data for this
Ligand-Target Pair
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