BindingDB logo
myBDB logout

BDBM50353081 CHEMBL1822935

SMILES: CCCCOc1c(OC)ccc2cc(C(=O)NCCF)c(=O)[nH]c12

InChI Key: InChIKey=UTFVZMLLHUZJOB-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50353081   
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))
BDBM50353081
PNG
(CHEMBL1822935)
Show SMILES CCCCOc1c(OC)ccc2cc(C(=O)NCCF)c(=O)[nH]c12
Show InChI InChI=1S/C17H21FN2O4/c1-3-4-9-24-15-13(23-2)6-5-11-10-12(16(21)19-8-7-18)17(22)20-14(11)15/h5-6,10H,3-4,7-9H2,1-2H3,(H,19,21)(H,20,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
486n/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))
BDBM50353081
PNG
(CHEMBL1822935)
Show SMILES CCCCOc1c(OC)ccc2cc(C(=O)NCCF)c(=O)[nH]c12
Show InChI InChI=1S/C17H21FN2O4/c1-3-4-9-24-15-13(23-2)6-5-11-10-12(16(21)19-8-7-18)17(22)20-14(11)15/h5-6,10H,3-4,7-9H2,1-2H3,(H,19,21)(H,20,22)
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