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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50306536'   
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))
BDBM50306536
PNG
((6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tet...)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(C)=C[C@H]3c2c(c1)C(O)=O |r,c:16|
Show InChI InChI=1S/C22H30O3/c1-5-6-7-8-15-12-17(21(23)24)20-16-11-14(2)9-10-18(16)22(3,4)25-19(20)13-15/h11-13,16,18H,5-10H2,1-4H3,(H,23,24)/t16-,18-/m1/s1
PDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>3.00E+3n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair