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PubMed code 17604171

Compile data set for download or QSAR
Found 20 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))
BDBM50217078
PNG
(2-hydroxy-6-methoxy-3',5'-dimethyl-biphenyl-4-carb...)
Show SMILES CCCCCOC(=O)c1cc(O)c(c(OC)c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C21H26O4/c1-5-6-7-8-25-21(23)17-12-18(22)20(19(13-17)24-4)16-10-14(2)9-15(3)11-16/h9-13,22H,5-8H2,1-4H3
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270n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB2 receptor


Bioorg Med Chem Lett 17: 4878-81 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.055
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50217074
PNG
(2,6-dihydroxy-3',5'-dimethyl-biphenyl-4-carboxylic...)
Show SMILES CCCCCOC(=O)c1cc(O)c(c(O)c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C20H24O4/c1-4-5-6-7-24-20(23)16-11-17(21)19(18(22)12-16)15-9-13(2)8-14(3)10-15/h8-12,21-22H,4-7H2,1-3H3
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1.10E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB2 receptor


Bioorg Med Chem Lett 17: 4878-81 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.055
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50217078
PNG
(2-hydroxy-6-methoxy-3',5'-dimethyl-biphenyl-4-carb...)
Show SMILES CCCCCOC(=O)c1cc(O)c(c(OC)c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C21H26O4/c1-5-6-7-8-25-21(23)17-12-18(22)20(19(13-17)24-4)16-10-14(2)9-15(3)11-16/h9-13,22H,5-8H2,1-4H3
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1.40E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB1 receptor


Bioorg Med Chem Lett 17: 4878-81 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.055
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50217074
PNG
(2,6-dihydroxy-3',5'-dimethyl-biphenyl-4-carboxylic...)
Show SMILES CCCCCOC(=O)c1cc(O)c(c(O)c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C20H24O4/c1-4-5-6-7-24-20(23)16-11-17(21)19(18(22)12-16)15-9-13(2)8-14(3)10-15/h8-12,21-22H,4-7H2,1-3H3
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2.00E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB1 receptor


Bioorg Med Chem Lett 17: 4878-81 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.055
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50217077
PNG
(2,6-dihydroxy-3',5'-dimethyl-biphenyl-4-carboxylic...)
Show SMILES CCCCOC(=O)c1cc(O)c(c(O)c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C19H22O4/c1-4-5-6-23-19(22)15-10-16(20)18(17(21)11-15)14-8-12(2)7-13(3)9-14/h7-11,20-21H,4-6H2,1-3H3
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2.60E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB1 receptor


Bioorg Med Chem Lett 17: 4878-81 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.055
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50217077
PNG
(2,6-dihydroxy-3',5'-dimethyl-biphenyl-4-carboxylic...)
Show SMILES CCCCOC(=O)c1cc(O)c(c(O)c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C19H22O4/c1-4-5-6-23-19(22)15-10-16(20)18(17(21)11-15)14-8-12(2)7-13(3)9-14/h7-11,20-21H,4-6H2,1-3H3
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3.20E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB2 receptor


Bioorg Med Chem Lett 17: 4878-81 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.055
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50217080
PNG
(2,6-dihydroxy-biphenyl-4-carboxylic acid pentyl es...)
Show SMILES CCCCCOC(=O)c1cc(O)c(c(O)c1)-c1ccccc1
Show InChI InChI=1S/C18H20O4/c1-2-3-7-10-22-18(21)14-11-15(19)17(16(20)12-14)13-8-5-4-6-9-13/h4-6,8-9,11-12,19-20H,2-3,7,10H2,1H3
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4.00E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB2 receptor


Bioorg Med Chem Lett 17: 4878-81 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.055
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50217071
PNG
(2,6-dihydroxy-3',5'-dimethyl-biphenyl-4-carboxylic...)
Show SMILES COC(=O)c1cc(O)c(c(O)c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C16H16O4/c1-9-4-10(2)6-11(5-9)15-13(17)7-12(8-14(15)18)16(19)20-3/h4-8,17-18H,1-3H3
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4.50E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB2 receptor


Bioorg Med Chem Lett 17: 4878-81 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.055
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50217079
PNG
(2-hydroxy-6-methoxy-3',5'-dimethyl-biphenyl-4-carb...)
Show SMILES COC(=O)c1cc(O)c(c(OC)c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C17H18O4/c1-10-5-11(2)7-12(6-10)16-14(18)8-13(17(19)21-4)9-15(16)20-3/h5-9,18H,1-4H3
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6.40E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB2 receptor


Bioorg Med Chem Lett 17: 4878-81 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.055
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50217072
PNG
(2-hydroxy-6-methoxy-3',5'-dimethyl-biphenyl-4-carb...)
Show SMILES COc1cc(cc(O)c1-c1cc(C)cc(C)c1)C(O)=O
Show InChI InChI=1S/C16H16O4/c1-9-4-10(2)6-11(5-9)15-13(17)7-12(16(18)19)8-14(15)20-3/h4-8,17H,1-3H3,(H,18,19)
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>1.00E+4n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB2 receptor


Bioorg Med Chem Lett 17: 4878-81 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.055
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50217079
PNG
(2-hydroxy-6-methoxy-3',5'-dimethyl-biphenyl-4-carb...)
Show SMILES COC(=O)c1cc(O)c(c(OC)c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C17H18O4/c1-10-5-11(2)7-12(6-10)16-14(18)8-13(17(19)21-4)9-15(16)20-3/h5-9,18H,1-4H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB1 receptor


Bioorg Med Chem Lett 17: 4878-81 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.055
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50217075
PNG
(2,6-dimethoxy-3',5'-dimethyl-biphenyl-4-carboxylic...)
Show SMILES COc1cc(cc(OC)c1-c1cc(C)cc(C)c1)C(O)=O
Show InChI InChI=1S/C17H18O4/c1-10-5-11(2)7-12(6-10)16-14(20-3)8-13(17(18)19)9-15(16)21-4/h5-9H,1-4H3,(H,18,19)
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1.00E+4n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB2 receptor


Bioorg Med Chem Lett 17: 4878-81 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.055
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50217080
PNG
(2,6-dihydroxy-biphenyl-4-carboxylic acid pentyl es...)
Show SMILES CCCCCOC(=O)c1cc(O)c(c(O)c1)-c1ccccc1
Show InChI InChI=1S/C18H20O4/c1-2-3-7-10-22-18(21)14-11-15(19)17(16(20)12-14)13-8-5-4-6-9-13/h4-6,8-9,11-12,19-20H,2-3,7,10H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB1 receptor


Bioorg Med Chem Lett 17: 4878-81 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.055
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50217073
PNG
(2,6-dimethoxy-3',5'-dimethyl-biphenyl-4-carboxylic...)
Show SMILES CCCCCOC(=O)c1cc(OC)c(c(OC)c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C22H28O4/c1-6-7-8-9-26-22(23)18-13-19(24-4)21(20(14-18)25-5)17-11-15(2)10-16(3)12-17/h10-14H,6-9H2,1-5H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB1 receptor


Bioorg Med Chem Lett 17: 4878-81 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.055
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50217076
PNG
(2,6-dihydroxy-3',5'-dimethyl-biphenyl-4-carboxylic...)
Show SMILES Cc1cc(C)cc(c1)-c1c(O)cc(cc1O)C(O)=O
Show InChI InChI=1S/C15H14O4/c1-8-3-9(2)5-10(4-8)14-12(16)6-11(15(18)19)7-13(14)17/h3-7,16-17H,1-2H3,(H,18,19)
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>1.00E+4n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB1 receptor


Bioorg Med Chem Lett 17: 4878-81 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.055
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50217075
PNG
(2,6-dimethoxy-3',5'-dimethyl-biphenyl-4-carboxylic...)
Show SMILES COc1cc(cc(OC)c1-c1cc(C)cc(C)c1)C(O)=O
Show InChI InChI=1S/C17H18O4/c1-10-5-11(2)7-12(6-10)16-14(20-3)8-13(17(18)19)9-15(16)21-4/h5-9H,1-4H3,(H,18,19)
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>1.00E+4n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB1 receptor


Bioorg Med Chem Lett 17: 4878-81 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.055
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50217071
PNG
(2,6-dihydroxy-3',5'-dimethyl-biphenyl-4-carboxylic...)
Show SMILES COC(=O)c1cc(O)c(c(O)c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C16H16O4/c1-9-4-10(2)6-11(5-9)15-13(17)7-12(8-14(15)18)16(19)20-3/h4-8,17-18H,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB1 receptor


Bioorg Med Chem Lett 17: 4878-81 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.055
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50217076
PNG
(2,6-dihydroxy-3',5'-dimethyl-biphenyl-4-carboxylic...)
Show SMILES Cc1cc(C)cc(c1)-c1c(O)cc(cc1O)C(O)=O
Show InChI InChI=1S/C15H14O4/c1-8-3-9(2)5-10(4-8)14-12(16)6-11(15(18)19)7-13(14)17/h3-7,16-17H,1-2H3,(H,18,19)
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>1.00E+4n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB2 receptor


Bioorg Med Chem Lett 17: 4878-81 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.055
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50217073
PNG
(2,6-dimethoxy-3',5'-dimethyl-biphenyl-4-carboxylic...)
Show SMILES CCCCCOC(=O)c1cc(OC)c(c(OC)c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C22H28O4/c1-6-7-8-9-26-22(23)18-13-19(24-4)21(20(14-18)25-5)17-11-15(2)10-16(3)12-17/h10-14H,6-9H2,1-5H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB2 receptor


Bioorg Med Chem Lett 17: 4878-81 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.055
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50217072
PNG
(2-hydroxy-6-methoxy-3',5'-dimethyl-biphenyl-4-carb...)
Show SMILES COc1cc(cc(O)c1-c1cc(C)cc(C)c1)C(O)=O
Show InChI InChI=1S/C16H16O4/c1-9-4-10(2)6-11(5-9)15-13(17)7-12(16(18)19)8-14(15)20-3/h4-8,17H,1-3H3,(H,18,19)
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>1.00E+4n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB1 receptor


Bioorg Med Chem Lett 17: 4878-81 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.055
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%