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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50323910'   
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


(Rattus norvegicus (rat))
BDBM50323910
PNG
(2-((1S,3R)-3-hydroxycyclohexyl)-5-(2-methyloctan-2...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)c(O)c1
Show InChI InChI=1S/C21H34O2/c1-4-5-6-7-13-21(2,3)17-11-12-19(20(23)15-17)16-9-8-10-18(22)14-16/h11-12,15-16,18,22-23H,4-10,13-14H2,1-3H3/t16-,18+/m0/s1
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Article
PubMed
2.20n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain membrane


Bioorg Med Chem 16: 322-35 (2008)


Article DOI: 10.1016/j.bmc.2007.09.033
BindingDB Entry DOI: 10.7270/Q22V2H0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50323910
PNG
(2-((1S,3R)-3-hydroxycyclohexyl)-5-(2-methyloctan-2...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)c(O)c1
Show InChI InChI=1S/C21H34O2/c1-4-5-6-7-13-21(2,3)17-11-12-19(20(23)15-17)16-9-8-10-18(22)14-16/h11-12,15-16,18,22-23H,4-10,13-14H2,1-3H3/t16-,18+/m0/s1
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Article
PubMed
9.54n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain cortex membranes


Bioorg Med Chem 18: 5475-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.054
BindingDB Entry DOI: 10.7270/Q2S75GJ1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50323910
PNG
(2-((1S,3R)-3-hydroxycyclohexyl)-5-(2-methyloctan-2...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)c(O)c1
Show InChI InChI=1S/C21H34O2/c1-4-5-6-7-13-21(2,3)17-11-12-19(20(23)15-17)16-9-8-10-18(22)14-16/h11-12,15-16,18,22-23H,4-10,13-14H2,1-3H3/t16-,18+/m0/s1
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735n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 218-26 (1993)


BindingDB Entry DOI: 10.7270/Q2HH6HM0
More data for this
Ligand-Target Pair