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PubMed code 19230659

Compile data set for download or QSAR
Found 12 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))
BDBM50133546
PNG
((6aR,10aR)-6,6,9-Trimethyl-3-(1-methyl-1-phenyl-et...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1ccccc1 |r,t:1|
Show InChI InChI=1S/C25H30O2/c1-16-11-12-20-19(13-16)23-21(26)14-18(15-22(23)27-25(20,4)5)24(2,3)17-9-7-6-8-10-17/h6-11,14-15,19-20,26H,12-13H2,1-5H3/t19-,20-/m1/s1
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PubMed
0.910n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 1691-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.100
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50248606
PNG
(3',5'-dichloro-4-(2-phenylpropan-2-yl)biphenyl-2,6...)
Show SMILES CC(C)(c1ccccc1)c1cc(O)c(c(O)c1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C21H18Cl2O2/c1-21(2,14-6-4-3-5-7-14)15-10-18(24)20(19(25)11-15)13-8-16(22)12-17(23)9-13/h3-12,24-25H,1-2H3
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PubMed
1.07n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 1691-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.100
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50248603
PNG
((3',5'-dichloro-2,6-dimethoxybiphenyl-4-yl)(phenyl...)
Show SMILES COc1cc(cc(OC)c1-c1cc(Cl)cc(Cl)c1)C(O)c1ccccc1
Show InChI InChI=1S/C21H18Cl2O3/c1-25-18-10-15(21(24)13-6-4-3-5-7-13)11-19(26-2)20(18)14-8-16(22)12-17(23)9-14/h3-12,21,24H,1-2H3
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PubMed
1.66n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 1691-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.100
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50248604
PNG
((3',5'-dichloro-2,6-dihydroxybiphenyl-4-yl)(phenyl...)
Show SMILES Oc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C19H12Cl2O3/c20-14-6-12(7-15(21)10-14)18-16(22)8-13(9-17(18)23)19(24)11-4-2-1-3-5-11/h1-10,22-23H
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2.94n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 1691-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.100
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50248605
PNG
((3',5'-dichloro-2-hydroxy-6-methoxybiphenyl-4-yl)(...)
Show SMILES COc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C20H14Cl2O3/c1-25-18-10-14(20(24)12-5-3-2-4-6-12)9-17(23)19(18)13-7-15(21)11-16(22)8-13/h2-11,23H,1H3
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PubMed
4.77n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 1691-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.100
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50133546
PNG
((6aR,10aR)-6,6,9-Trimethyl-3-(1-methyl-1-phenyl-et...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1ccccc1 |r,t:1|
Show InChI InChI=1S/C25H30O2/c1-16-11-12-20-19(13-16)23-21(26)14-18(15-22(23)27-25(20,4)5)24(2,3)17-9-7-6-8-10-17/h6-11,14-15,19-20,26H,12-13H2,1-5H3/t19-,20-/m1/s1
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12.3n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 1691-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.100
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50067734
PNG
((-)-(6aR-trans)-6,6,9-trimethyl-3-pentyl-6a,7,10,1...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13|
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9,12-13,16-17,22H,5-8,10-11H2,1-4H3/t16-,17-/m1/s1
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25n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 1691-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.100
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50248604
PNG
((3',5'-dichloro-2,6-dihydroxybiphenyl-4-yl)(phenyl...)
Show SMILES Oc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C19H12Cl2O3/c20-14-6-12(7-15(21)10-14)18-16(22)8-13(9-17(18)23)19(24)11-4-2-1-3-5-11/h1-10,22-23H
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27n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 1691-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.100
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50067734
PNG
((-)-(6aR-trans)-6,6,9-trimethyl-3-pentyl-6a,7,10,1...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13|
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9,12-13,16-17,22H,5-8,10-11H2,1-4H3/t16-,17-/m1/s1
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28.5n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 1691-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.100
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50248606
PNG
(3',5'-dichloro-4-(2-phenylpropan-2-yl)biphenyl-2,6...)
Show SMILES CC(C)(c1ccccc1)c1cc(O)c(c(O)c1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C21H18Cl2O2/c1-21(2,14-6-4-3-5-7-14)15-10-18(24)20(19(25)11-15)13-8-16(22)12-17(23)9-13/h3-12,24-25H,1-2H3
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93.7n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 1691-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.100
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50248605
PNG
((3',5'-dichloro-2-hydroxy-6-methoxybiphenyl-4-yl)(...)
Show SMILES COc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C20H14Cl2O3/c1-25-18-10-14(20(24)12-5-3-2-4-6-12)9-17(23)19(18)13-7-15(21)11-16(22)8-13/h2-11,23H,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 1691-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.100
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50248603
PNG
((3',5'-dichloro-2,6-dimethoxybiphenyl-4-yl)(phenyl...)
Show SMILES COc1cc(cc(OC)c1-c1cc(Cl)cc(Cl)c1)C(O)c1ccccc1
Show InChI InChI=1S/C21H18Cl2O3/c1-25-18-10-15(21(24)13-6-4-3-5-7-13)11-19(26-2)20(18)14-8-16(22)12-17(23)9-14/h3-12,21,24H,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 1691-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.100
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%