new BindingDB logo
myBDB logout

BDBM50418204 CHEMBL1760670

SMILES: COc1ccc(Br)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCCCO

InChI Key: InChIKey=RUDOQDYUTXVYLW-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50418204   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418204
PNG
(CHEMBL1760670)
Show SMILES COc1ccc(Br)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCCCO
Show InChI InChI=1S/C21H20BrN3O3/c1-28-20-6-4-17(22)10-16(20)13-25-18-5-3-14(12-23)9-15(18)11-19(25)21(27)24-7-2-8-26/h3-6,9-11,26H,2,7-8,13H2,1H3,(H,24,27)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.33n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity against human CB1 receptor


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
BindingDB Entry DOI: 10.7270/Q27082PM
More data for this
Ligand-Target Pair