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PubMed code 16451075

Compile data set for download or QSAR
Found 6 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


(Rattus norvegicus (rat))
BDBM50181834
PNG
(2-((2S)-2-isopropyl-5-methylcyclohexyl)-5-(2-methy...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c(C2CC(C)CC[C@H]2C(C)C)c(O)c1
Show InChI InChI=1S/C25H42O2/c1-7-8-9-10-13-25(5,6)19-15-22(26)24(23(27)16-19)21-14-18(4)11-12-20(21)17(2)3/h15-18,20-21,26-27H,7-14H2,1-6H3/t18?,20-,21?/m0/s1
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Article
PubMed
17n/an/an/an/an/an/an/an/a



Ben-Gurion University of the Negev

Curated by ChEMBL


Assay Description
Displacement of [3H]HU243 from CB1 receptor in Sabra rat brain


J Med Chem 49: 1113-7 (2006)


Article DOI: 10.1021/jm050709m
BindingDB Entry DOI: 10.7270/Q2GT5NZJ
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50181830
PNG
(2-((6S)-6-isopropyl-3-methylcyclohex-2-enyl)-5-(2-...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c(C2C=C(C)CC[C@H]2C(C)C)c(O)c1
Show InChI InChI=1S/C25H40O2/c1-7-8-9-10-13-25(5,6)19-15-22(26)24(23(27)16-19)21-14-18(4)11-12-20(21)17(2)3/h14-17,20-21,26-27H,7-13H2,1-6H3/t20-,21?/m0/s1
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124n/an/an/an/an/an/an/an/a



Ben-Gurion University of the Negev

Curated by ChEMBL


Assay Description
Displacement of [3H]HU243 from CB1 receptor in Sabra rat brain


J Med Chem 49: 1113-7 (2006)


Article DOI: 10.1021/jm050709m
BindingDB Entry DOI: 10.7270/Q2GT5NZJ
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50181831
PNG
(2-((2S)-2-isopropyl-5-methylcyclohexyl)-5-pentylbe...)
Show SMILES CCCCCc1cc(O)c(C2CC(C)CC[C@H]2C(C)C)c(O)c1
Show InChI InChI=1S/C21H34O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h12-15,17-18,22-23H,5-11H2,1-4H3/t15?,17-,18?/m0/s1
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145n/an/an/an/an/an/an/an/a



Ben-Gurion University of the Negev

Curated by ChEMBL


Assay Description
Displacement of [3H]HU243 from CB1 receptor in Sabra rat brain


J Med Chem 49: 1113-7 (2006)


Article DOI: 10.1021/jm050709m
BindingDB Entry DOI: 10.7270/Q2GT5NZJ
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50181833
PNG
(2-((6S)-6-isopropyl-3-methylcyclohex-2-enyl)-5-pen...)
Show SMILES CCCCCc1cc(O)c(C2C=C(C)CC[C@H]2C(C)C)c(O)c1
Show InChI InChI=1S/C21H32O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-14,17-18,22-23H,5-10H2,1-4H3/t17-,18?/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Ben-Gurion University of the Negev

Curated by ChEMBL


Assay Description
Displacement of [3H]HU243 from CB1 receptor in Sabra rat brain


J Med Chem 49: 1113-7 (2006)


Article DOI: 10.1021/jm050709m
BindingDB Entry DOI: 10.7270/Q2GT5NZJ
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50181832
PNG
(2-((6R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-enyl...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c(C2C=C(C)CC[C@H]2C(C)=C)c(O)c1
Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-13-25(5,6)19-15-22(26)24(23(27)16-19)21-14-18(4)11-12-20(21)17(2)3/h14-16,20-21,26-27H,2,7-13H2,1,3-6H3/t20-,21?/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Ben-Gurion University of the Negev

Curated by ChEMBL


Assay Description
Displacement of [3H]HU243 from CB1 receptor in Sabra rat brain


J Med Chem 49: 1113-7 (2006)


Article DOI: 10.1021/jm050709m
BindingDB Entry DOI: 10.7270/Q2GT5NZJ
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50318484
PNG
(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Show SMILES CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Ben-Gurion University of the Negev

Curated by ChEMBL


Assay Description
Displacement of [3H]HU243 from CB1 receptor in Sabra rat brain


J Med Chem 49: 1113-7 (2006)


Article DOI: 10.1021/jm050709m
BindingDB Entry DOI: 10.7270/Q2GT5NZJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%