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BDBM50418209 CHEMBL1760665

SMILES: CC(O)CCNC(=O)c1cc2cc(ccc2n1Cc1cccc(OC(F)(F)F)c1)C#N

InChI Key: InChIKey=NJHFERUHLBEMGP-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50418209   
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))
BDBM50418209
PNG
(CHEMBL1760665)
Show SMILES CC(O)CCNC(=O)c1cc2cc(ccc2n1Cc1cccc(OC(F)(F)F)c1)C#N
Show InChI InChI=1S/C22H20F3N3O3/c1-14(29)7-8-27-21(30)20-11-17-9-15(12-26)5-6-19(17)28(20)13-16-3-2-4-18(10-16)31-22(23,24)25/h2-6,9-11,14,29H,7-8,13H2,1H3,(H,27,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.91n/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