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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for entry = 50041074   
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))
BDBM50404269
PNG
(CHEMBL320549)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOC(=O)[C@@H](O)CO
Show InChI InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-23(26)22(25)21-24/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-/t22-/m0/s1
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Article
PubMed
n/an/an/an/a 3.98E+4n/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Cannabinoid receptor 1 dependent activity of compound was evaluated by using [35S]GTP-gamma-S-binding studies


Bioorg Med Chem Lett 14: 3231-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.093
BindingDB Entry DOI: 10.7270/Q24F1RZC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50404270
PNG
(CHEMBL113473)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOC(=O)[C@H](O)CO
Show InChI InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-23(26)22(25)21-24/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-/t22-/m1/s1
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PubMed
n/an/an/an/a 2.51E+4n/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Cannabinoid receptor 1 dependent activity of compound was evaluated by using [35S]GTP-gamma-S-binding studies


Bioorg Med Chem Lett 14: 3231-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.093
BindingDB Entry DOI: 10.7270/Q24F1RZC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM22988
PNG
((5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO
Show InChI InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-
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Article
PubMed
n/an/an/an/a 1.58E+4n/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Cannabinoid receptor 1 dependent activity of compound was evaluated by using [35S]GTP-gamma-S-binding studies


Bioorg Med Chem Lett 14: 3231-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.093
BindingDB Entry DOI: 10.7270/Q24F1RZC
More data for this
Ligand-Target Pair