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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50213606'   
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


(Homo sapiens (Human))
BDBM50213606
PNG
(5-(1-hexyl-cyclopropyl)-2-((R)-6-isopropenyl-3-met...)
Show SMILES CCCCCCC1(CC1)c1cc(O)c([C@@H]2C=C(C)CCC2C(C)=C)c(O)c1 |w:20.22,t:16|
Show InChI InChI=1S/C25H36O2/c1-5-6-7-8-11-25(12-13-25)19-15-22(26)24(23(27)16-19)21-14-18(4)9-10-20(21)17(2)3/h14-16,20-21,26-27H,2,5-13H2,1,3-4H3/t20?,21-/m1/s1
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Similars

Article
PubMed
58.7n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
BindingDB Entry DOI: 10.7270/Q2ST7PJ4
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213606
PNG
(5-(1-hexyl-cyclopropyl)-2-((R)-6-isopropenyl-3-met...)
Show SMILES CCCCCCC1(CC1)c1cc(O)c([C@@H]2C=C(C)CCC2C(C)=C)c(O)c1 |w:20.22,t:16|
Show InChI InChI=1S/C25H36O2/c1-5-6-7-8-11-25(12-13-25)19-15-22(26)24(23(27)16-19)21-14-18(4)9-10-20(21)17(2)3/h14-16,20-21,26-27H,2,5-13H2,1,3-4H3/t20?,21-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
59n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 6754-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.044
BindingDB Entry DOI: 10.7270/Q2QV3Q9M
More data for this
Ligand-Target Pair