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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 = 'BDBM50266831'   
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))
BDBM50266831
PNG
(1-(2,4-Dichlorophenyl)-4-cyano-5-(4-bromophenyl)-N...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCOCC2)c(C#N)c1-c1ccc(Br)cc1
Show InChI InChI=1S/C21H16BrCl2N5O2/c22-14-3-1-13(2-4-14)20-16(12-25)19(21(30)27-28-7-9-31-10-8-28)26-29(20)18-6-5-15(23)11-17(18)24/h1-6,11H,7-10H2,(H,27,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
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PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


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


Eur J Med Chem 44: 593-608 (2009)


Article DOI: 10.1016/j.ejmech.2008.03.040
BindingDB Entry DOI: 10.7270/Q2K35TFK
More data for this
Ligand-Target Pair