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PubMed code 18977140

Compile data set for download or QSAR
Found 43 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


(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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(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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3.40n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50256377
PNG
(CHEMBL449624 | methyl 3-(5-tert-butylisoxazol-3-yl...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1cc(on1)C(C)(C)C
Show InChI InChI=1S/C18H27N3O2S2/c1-17(2,3)13-10-14(20-23-13)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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4.70n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50256430
PNG
(CHEMBL481716 | methyl 3-(4-(dimethylamino)naphthal...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(N(C)C)c2ccccc12
Show InChI InChI=1S/C23H29N3OS2/c1-25(2)20-12-11-19(17-9-5-6-10-18(17)20)24-21-26(22(28)29-3)15-23(16-27-21)13-7-4-8-14-23/h5-6,9-12H,4,7-8,13-16H2,1-3H3/b24-21-
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4.90n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(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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4.90n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50256432
PNG
(CHEMBL480579 | methyl 3-(4-chloro-5,6,7,8-tetrahyd...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(Cl)c2CCCCc12
Show InChI InChI=1S/C21H27ClN2OS2/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/h9-10H,2-8,11-14H2,1H3/b23-19-
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5.80n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50256220
PNG
(CHEMBL475610 | S-methyl 3-(naphthalen-1-ylimino)-2...)
Show SMILES CSC(=O)N1CC2(CCCCC2)CO\C1=N/c1cccc2ccccc12
Show InChI InChI=1S/C21H24N2O2S/c1-26-20(24)23-14-21(12-5-2-6-13-21)15-25-19(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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5.80n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213886
PNG
(3-[(Z)-naphthalen-1-ylimino]-2-thia-4-aza-spiro[5....)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc2ccccc12
Show InChI InChI=1S/C21H24N2S3/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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6n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50256430
PNG
(CHEMBL481716 | methyl 3-(4-(dimethylamino)naphthal...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(N(C)C)c2ccccc12
Show InChI InChI=1S/C23H29N3OS2/c1-25(2)20-12-11-19(17-9-5-6-10-18(17)20)24-21-26(22(28)29-3)15-23(16-27-21)13-7-4-8-14-23/h5-6,9-12H,4,7-8,13-16H2,1-3H3/b24-21-
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6.60n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50256316
PNG
(CHEMBL469896 | methyl 3-(benzo[c][1,2,5]oxadiazol-...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1cccc2nonc12
Show InChI InChI=1S/C17H20N4O2S2/c1-25-16(24)21-10-17(8-3-2-4-9-17)11-22-15(21)18-12-6-5-7-13-14(12)20-23-19-13/h5-7H,2-4,8-11H2,1H3/b18-15-
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6.80n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50213886
PNG
(3-[(Z)-naphthalen-1-ylimino]-2-thia-4-aza-spiro[5....)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc2ccccc12
Show InChI InChI=1S/C21H24N2S3/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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6.80n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(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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9.20n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(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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9.30n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50256222
PNG
(CHEMBL475611 | methyl 3-(phenylimino)-2-oxa-4-azas...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccccc1
Show InChI InChI=1S/C17H22N2OS2/c1-22-16(21)19-12-17(10-6-3-7-11-17)13-20-15(19)18-14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-13H2,1H3/b18-15-
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11n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(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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14n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(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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14n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50256377
PNG
(CHEMBL449624 | methyl 3-(5-tert-butylisoxazol-3-yl...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1cc(on1)C(C)(C)C
Show InChI InChI=1S/C18H27N3O2S2/c1-17(2,3)13-10-14(20-23-13)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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17n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50256220
PNG
(CHEMBL475610 | S-methyl 3-(naphthalen-1-ylimino)-2...)
Show SMILES CSC(=O)N1CC2(CCCCC2)CO\C1=N/c1cccc2ccccc12
Show InChI InChI=1S/C21H24N2O2S/c1-26-20(24)23-14-21(12-5-2-6-13-21)15-25-19(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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31n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(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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49n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(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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59n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50256432
PNG
(CHEMBL480579 | methyl 3-(4-chloro-5,6,7,8-tetrahyd...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(Cl)c2CCCCc12
Show InChI InChI=1S/C21H27ClN2OS2/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/h9-10H,2-8,11-14H2,1H3/b23-19-
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76n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(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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101n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50256316
PNG
(CHEMBL469896 | methyl 3-(benzo[c][1,2,5]oxadiazol-...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1cccc2nonc12
Show InChI InChI=1S/C17H20N4O2S2/c1-25-16(24)21-10-17(8-3-2-4-9-17)11-22-15(21)18-12-6-5-7-13-14(12)20-23-19-13/h5-7H,2-4,8-11H2,1H3/b18-15-
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152n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50256221
PNG
(CHEMBL515604 | S-methyl 3-(naphthalen-1-ylimino)-2...)
Show SMILES CSC(=O)N1CC2(CCCCC2)CN=C1Nc1cccc2ccccc12 |c:14|
Show InChI InChI=1S/C21H25N3OS/c1-26-20(25)24-15-21(12-5-2-6-13-21)14-22-19(24)23-18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11H,2,5-6,12-15H2,1H3,(H,22,23)
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155n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50256222
PNG
(CHEMBL475611 | methyl 3-(phenylimino)-2-oxa-4-azas...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccccc1
Show InChI InChI=1S/C17H22N2OS2/c1-22-16(21)19-12-17(10-6-3-7-11-17)13-20-15(19)18-14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-13H2,1H3/b18-15-
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515n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50256221
PNG
(CHEMBL515604 | S-methyl 3-(naphthalen-1-ylimino)-2...)
Show SMILES CSC(=O)N1CC2(CCCCC2)CN=C1Nc1cccc2ccccc12 |c:14|
Show InChI InChI=1S/C21H25N3OS/c1-26-20(25)24-15-21(12-5-2-6-13-21)14-22-19(24)23-18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11H,2,5-6,12-15H2,1H3,(H,22,23)
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624n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(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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n/an/a 8n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells assessed as inhibition of cAMP accumulation


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


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


(Homo sapiens (Human))
BDBM50213886
PNG
(3-[(Z)-naphthalen-1-ylimino]-2-thia-4-aza-spiro[5....)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc2ccccc12
Show InChI InChI=1S/C21H24N2S3/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-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells assessed as inhibition of cAMP accumulation


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


Article DOI: 10.1016/j.bmcl.2008.10.070
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%