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BDBM50418226 CHEMBL1760648

SMILES: CC(C)(CO)CNC(=O)c1cc2cc(ccc2n1Cc1cc(Cl)cc(Cl)c1)C#N

InChI Key: InChIKey=VMQPWINCJCWTLF-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50418226   
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))
BDBM50418226
PNG
(CHEMBL1760648)
Show SMILES CC(C)(CO)CNC(=O)c1cc2cc(ccc2n1Cc1cc(Cl)cc(Cl)c1)C#N
Show InChI InChI=1S/C22H21Cl2N3O2/c1-22(2,13-28)12-26-21(29)20-8-16-5-14(10-25)3-4-19(16)27(20)11-15-6-17(23)9-18(24)7-15/h3-9,28H,11-13H2,1-2H3,(H,26,29)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.37n/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