BindingDB logo
myBDB logout

BDBM50258807 CHEMBL4085745

SMILES: Oc1cccc(c1)-c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1

InChI Key: InChIKey=REYVCEPLQOPGTM-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 = 50258807   
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))
BDBM50258807
PNG
(CHEMBL4085745)
Show SMILES Oc1cccc(c1)-c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C19H15ClN2O2/c20-15-7-9-16(10-8-15)21-19(24)22-17-5-1-3-13(11-17)14-4-2-6-18(23)12-14/h1-12,23H,(H2,21,22,24)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 840n/an/an/an/an/an/a



Research Triangle Institute , Research Triangle Park, North Carolina 27709, United States.

Curated by ChEMBL


Assay Description
Allosteric modulation of human CB1 receptor expressed in CHO cells co-expressing Galpha16 assessed as inhibition of CP55,940-induced calcium mobiliza...


J Med Chem 60: 7410-7424 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00707
BindingDB Entry DOI: 10.7270/Q2XK8J0H
More data for this
Ligand-Target Pair