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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 = 'BDBM50332878'   
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))
BDBM50332878
PNG
(1-(2,4-Dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...)
Show SMILES CCCNC(=O)c1nn(c(c1C)-n1c(C)ccc1C)-c1ccc(Cl)cc1Cl |(20.22,-4.85,;19.42,-3.51,;17.9,-3.54,;17.11,-2.21,;15.57,-2.24,;14.78,-.92,;14.83,-3.58,;15.31,-5.02,;14.08,-5.94,;12.83,-5.05,;13.29,-3.58,;12.38,-2.34,;11.37,-5.54,;10.9,-6.99,;11.8,-8.23,;9.35,-7,;8.87,-5.54,;10.09,-4.63,;10.08,-3.09,;14.1,-7.48,;12.77,-8.27,;12.79,-9.81,;14.13,-10.57,;14.14,-12.11,;15.46,-9.79,;15.44,-8.24,;16.77,-7.45,)|
Show InChI InChI=1S/C20H22Cl2N4O/c1-5-10-23-19(27)18-14(4)20(25-12(2)6-7-13(25)3)26(24-18)17-9-8-15(21)11-16(17)22/h6-9,11H,5,10H2,1-4H3,(H,23,27)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
290n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair