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PubMed code 17643986

Compile data set for download or QSAR
Found 11 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))
BDBM50218270
PNG
((Z)-N-(5-tert-butyl-3-(cyclopropylmethyl)-4-methyl...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2cccc3ccccc23)n1CC1CC1)C(C)(C)C
Show InChI InChI=1S/C22H26N2O2S2/c1-15-20(22(2,3)4)27-21(24(15)14-16-12-13-16)23-28(25,26)19-11-7-9-17-8-5-6-10-18(17)19/h5-11,16H,12-14H2,1-4H3/b23-21-
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n/an/a 16n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5133-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50218272
PNG
((Z)-N-(5-tert-butyl-3-(cyclopropylmethyl)-4-methyl...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2ccccc2)n1CC1CC1)C(C)(C)C
Show InChI InChI=1S/C18H24N2O2S2/c1-13-16(18(2,3)4)23-17(20(13)12-14-10-11-14)19-24(21,22)15-8-6-5-7-9-15/h5-9,14H,10-12H2,1-4H3/b19-17-
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n/an/a 65n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5133-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50218271
PNG
((Z)-N-(3-allyl-5-tert-butyl-4-methylthiazol-2(3H)-...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2ccccc2)n1CC=C)C(C)(C)C
Show InChI InChI=1S/C17H22N2O2S2/c1-6-12-19-13(2)15(17(3,4)5)22-16(19)18-23(20,21)14-10-8-7-9-11-14/h6-11H,1,12H2,2-5H3/b18-16-
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n/an/a 75n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5133-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50218273
PNG
((Z)-N-(5-tert-butyl-4-methyl-3-(3-methylbut-2-enyl...)
Show SMILES CC(C)=CCn1c(C)c(s\c1=N/S(=O)(=O)c1ccccc1)C(C)(C)C |(19.4,-19.66,;18.07,-20.44,;16.73,-19.68,;18.08,-21.98,;16.75,-22.76,;16.77,-24.3,;15.3,-24.77,;14.06,-23.86,;15.29,-26.31,;16.75,-26.8,;17.66,-25.55,;19.2,-25.55,;19.97,-26.89,;18.64,-27.64,;21.31,-26.12,;20.74,-28.22,;19.97,-29.55,;20.74,-30.88,;22.28,-30.88,;23.05,-29.53,;22.27,-28.21,;13.93,-27.06,;12.58,-27.8,;13.19,-25.71,;14.67,-28.41,)|
Show InChI InChI=1S/C19H26N2O2S2/c1-14(2)12-13-21-15(3)17(19(4,5)6)24-18(21)20-25(22,23)16-10-8-7-9-11-16/h7-12H,13H2,1-6H3/b20-18-
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n/an/a 170n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5133-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50218274
PNG
((Z)-N-(5-tert-butyl-4-methyl-3-(prop-2-ynyl)thiazo...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2ccccc2)n1CC#C)C(C)(C)C
Show InChI InChI=1S/C17H20N2O2S2/c1-6-12-19-13(2)15(17(3,4)5)22-16(19)18-23(20,21)14-10-8-7-9-11-14/h1,7-11H,12H2,2-5H3/b18-16-
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n/an/a 210n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5133-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM5035
PNG
(CHEMBL235747 | N-(5-tert-Butyl-3,4-dimethyl-1,3-th...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2ccccc2)n1C)C(C)(C)C
Show InChI InChI=1S/C15H20N2O2S2/c1-11-13(15(2,3)4)20-14(17(11)5)16-21(18,19)12-9-7-6-8-10-12/h6-10H,1-5H3/b16-14-
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n/an/a 340n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5133-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50218275
PNG
((Z)-N-(5-tert-butyl-3-(cyclopropylmethyl)-4-methyl...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2ccc3ccccc3c2)n1CC1CC1)C(C)(C)C
Show InChI InChI=1S/C22H26N2O2S2/c1-15-20(22(2,3)4)27-21(24(15)14-16-9-10-16)23-28(25,26)19-12-11-17-7-5-6-8-18(17)13-19/h5-8,11-13,16H,9-10,14H2,1-4H3/b23-21-
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n/an/a 490n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5133-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50218270
PNG
((Z)-N-(5-tert-butyl-3-(cyclopropylmethyl)-4-methyl...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2cccc3ccccc23)n1CC1CC1)C(C)(C)C
Show InChI InChI=1S/C22H26N2O2S2/c1-15-20(22(2,3)4)27-21(24(15)14-16-12-13-16)23-28(25,26)19-11-7-9-17-8-5-6-10-18(17)19/h5-11,16H,12-14H2,1-4H3/b23-21-
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n/an/a 1.70E+3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5133-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM5035
PNG
(CHEMBL235747 | N-(5-tert-Butyl-3,4-dimethyl-1,3-th...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2ccccc2)n1C)C(C)(C)C
Show InChI InChI=1S/C15H20N2O2S2/c1-11-13(15(2,3)4)20-14(17(11)5)16-21(18,19)12-9-7-6-8-10-12/h6-10H,1-5H3/b16-14-
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n/an/a>5.00E+4n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5133-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50218270
PNG
((Z)-N-(5-tert-butyl-3-(cyclopropylmethyl)-4-methyl...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2cccc3ccccc23)n1CC1CC1)C(C)(C)C
Show InChI InChI=1S/C22H26N2O2S2/c1-15-20(22(2,3)4)27-21(24(15)14-16-12-13-16)23-28(25,26)19-11-7-9-17-8-5-6-10-18(17)19/h5-11,16H,12-14H2,1-4H3/b23-21-
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n/an/an/an/a 7.20n/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgamaS binding assay


Bioorg Med Chem Lett 17: 5133-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM5035
PNG
(CHEMBL235747 | N-(5-tert-Butyl-3,4-dimethyl-1,3-th...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2ccccc2)n1C)C(C)(C)C
Show InChI InChI=1S/C15H20N2O2S2/c1-11-13(15(2,3)4)20-14(17(11)5)16-21(18,19)12-9-7-6-8-10-12/h6-10H,1-5H3/b16-14-
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n/an/an/an/a 110n/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgamaS binding assay


Bioorg Med Chem Lett 17: 5133-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.005
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%