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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 = 'BDBM50274056'   
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))
BDBM50274056
PNG
(CHEMBL521467 | N-Acetyl-L-valine-(1S)-1-[[(2S,3S)-...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H](NC(C)=O)C(C)C |r|
Show InChI InChI=1S/C29H53NO5/c1-6-8-10-12-13-14-15-16-17-19-24(34-29(33)27(22(3)4)30-23(5)31)21-26-25(28(32)35-26)20-18-11-9-7-2/h22,24-27H,6-21H2,1-5H3,(H,30,31)/t24-,25-,26-,27-/m0/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
8.40E+3n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in HEK293 cells by scintillation counting


J Med Chem 51: 6970-9 (2008)


Article DOI: 10.1021/jm800978m
BindingDB Entry DOI: 10.7270/Q2251J1D
More data for this
Ligand-Target Pair