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BDBM50023634 CHEMBL3341886

SMILES: COc1cc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc(OC)c1OC

InChI Key: InChIKey=WGHYZMUZGXWEMW-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50023634   
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))
BDBM50023634
PNG
(CHEMBL3341886)
Show SMILES COc1cc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc(OC)c1OC
Show InChI InChI=1S/C25H28N4O4/c1-31-21-15-19(16-22(32-2)24(21)33-3)27-25(30)26-18-9-6-8-17(14-18)20-10-7-11-23(28-20)29-12-4-5-13-29/h6-11,14-16H,4-5,12-13H2,1-3H3,(H2,26,27,30)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor stably expressed in RD-HGA16 cells assessed as inhibition of CP55,940-induced calcium mobilization after 15...


J Med Chem 57: 7758-69 (2014)


Article DOI: 10.1021/jm501042u
BindingDB Entry DOI: 10.7270/Q26W9CNX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50023634
PNG
(CHEMBL3341886)
Show SMILES COc1cc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc(OC)c1OC
Show InChI InChI=1S/C25H28N4O4/c1-31-21-15-19(16-22(32-2)24(21)33-3)27-25(30)26-18-9-6-8-17(14-18)20-10-7-11-23(28-20)29-12-4-5-13-29/h6-11,14-16H,4-5,12-13H2,1-3H3,(H2,26,27,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor stably expressed in RD-HGA16 cells assessed as inhibition of CP55,940-induced calcium mobilization after 15...


J Med Chem 57: 7758-69 (2014)


Article DOI: 10.1021/jm501042u
BindingDB Entry DOI: 10.7270/Q26W9CNX
More data for this
Ligand-Target Pair