BindingDB logo
myBDB logout

BDBM50296167 2-chloro-N-(2,6-dimethylphenyl)-N-(2-morpholino-2-(4-nitrophenyl)acetyl)benzamide::CHEMBL557442

SMILES: Cc1cccc(C)c1N(C(=O)C(N1CCOCC1)c1ccc(cc1)[N+]([O-])=O)C(=O)c1ccccc1Cl

InChI Key: InChIKey=LRWQOJYFZBJAOO-UHFFFAOYSA-N

Data: 1 KI

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 = 50296167   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50296167
PNG
(2-chloro-N-(2,6-dimethylphenyl)-N-(2-morpholino-2-...)
Show SMILES Cc1cccc(C)c1N(C(=O)C(N1CCOCC1)c1ccc(cc1)[N+]([O-])=O)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C27H26ClN3O5/c1-18-6-5-7-19(2)24(18)30(26(32)22-8-3-4-9-23(22)28)27(33)25(29-14-16-36-17-15-29)20-10-12-21(13-11-20)31(34)35/h3-13,25H,14-17H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.79E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells by liquid scintillation counting


Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair