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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 = 'BDBM50267602'   
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))
BDBM50267602
PNG
(11-(3-hydroxy-5-(2-methyloctan-2-yl)phenoxy)-N-(2-...)
Show SMILES CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCC(=O)NCCO)c1
Show InChI InChI=1S/C28H49NO4/c1-4-5-6-14-17-28(2,3)24-21-25(31)23-26(22-24)33-20-15-12-10-8-7-9-11-13-16-27(32)29-18-19-30/h21-23,30-31H,4-20H2,1-3H3,(H,29,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
316n/an/an/an/an/an/an/an/a



Universita degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CB1 receptor expressed in african green monkey COS cells by radioligand binding assay


J Med Chem 52: 2506-14 (2009)


Article DOI: 10.1021/jm8016255
BindingDB Entry DOI: 10.7270/Q2X34XCN
More data for this
Ligand-Target Pair