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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 = 'BDBM50306529'   
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))
BDBM50306529
PNG
((6aR,10aR)-6,6,9-trimethyl-3-(2-methyloctan-2-yl)-...)
Show SMILES CCCCCCC(C)(C)c1cc2OC(C)(C)[C@@H]3CCC(C)=C[C@H]3c2c(c1)C#N |r,c:20|
Show InChI InChI=1S/C26H37NO/c1-7-8-9-10-13-25(3,4)20-15-19(17-27)24-21-14-18(2)11-12-22(21)26(5,6)28-23(24)16-20/h14-16,21-22H,7-13H2,1-6H3/t21-,22-/m1/s1
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
67.8n/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