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BDBM50418206 CHEMBL1760668

SMILES: COc1ccc(cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCCC1(O)CCC1)C(F)(F)F

InChI Key: InChIKey=JZHOGDSTTRGANB-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50418206   
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))
BDBM50418206
PNG
(CHEMBL1760668)
Show SMILES COc1ccc(cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCCC1(O)CCC1)C(F)(F)F
Show InChI InChI=1S/C25H24F3N3O3/c1-34-22-6-4-19(25(26,27)28)12-18(22)15-31-20-5-3-16(14-29)11-17(20)13-21(31)23(32)30-10-9-24(33)7-2-8-24/h3-6,11-13,33H,2,7-10,15H2,1H3,(H,30,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.48n/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