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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 = 'BDBM50348137'   
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))
BDBM50348137
PNG
(CHEMBL1800727)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H](C)COC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 |r|
Show InChI InChI=1S/C39H64N4O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-27-36(45)41-32(2)30-48-37(46)28-21-19-24-29-40-35(44)26-23-22-25-34-38-33(31-49-34)42-39(47)43-38/h7-8,10-11,13-14,16-17,32-34,38H,3-6,9,12,15,18-31H2,1-2H3,(H,40,44)(H,41,45)(H2,42,43,47)/b8-7-,11-10-,14-13-,17-16-/t32-,33+,34+,38+/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK-293-EBNA cell membranes after 90 mins by scintillation counting


J Med Chem 54: 5265-9 (2011)


Article DOI: 10.1021/jm2004392
BindingDB Entry DOI: 10.7270/Q25D8S6J
More data for this
Ligand-Target Pair