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BDBM50353079 CHEMBL1822933

SMILES: CCCCOc1c(OC)c(cc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c12)[N+]([O-])=O

InChI Key: InChIKey=LIFKXJIIMHZEDS-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50353079   
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 2


(Homo sapiens (Human))
BDBM50353079
PNG
(CHEMBL1822933)
Show SMILES CCCCOc1c(OC)c(cc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c12)[N+]([O-])=O
Show InChI InChI=1S/C23H24FN3O6/c1-3-4-11-33-21-19-15(13-18(27(30)31)20(21)32-2)12-17(23(29)26-19)22(28)25-10-9-14-5-7-16(24)8-6-14/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,25,28)(H,26,29)
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
1.40n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in human U87 cells after 1 hr by scintillation counting


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50353079
PNG
(CHEMBL1822933)
Show SMILES CCCCOc1c(OC)c(cc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c12)[N+]([O-])=O
Show InChI InChI=1S/C23H24FN3O6/c1-3-4-11-33-21-19-15(13-18(27(30)31)20(21)32-2)12-17(23(29)26-19)22(28)25-10-9-14-5-7-16(24)8-6-14/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,25,28)(H,26,29)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in human U87 cells after 1 hr by scintillation counting


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair