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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 = 'BDBM50095888'   
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))
BDBM50095888
PNG
(CHEMBL3590648)
Show SMILES CCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2cc(ccc12)C(F)(F)F
Show InChI InChI=1S/C22H27F3N2O2/c1-2-3-7-12-27-19-11-10-15(22(23,24)25)13-17(19)20(28)18(21(27)29)14-26-16-8-5-4-6-9-16/h10-11,13-14,16,26H,2-9,12H2,1H3/b18-14+
PDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB1R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair