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SMILES: CC(C)(C)C(=O)c1c(NC(=O)c2ccccc2C(F)(F)F)sc2COCCc12

InChI Key: InChIKey=VQUBPYAFRYWICQ-UHFFFAOYSA-N

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 = 50402877   
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))
BDBM50402877
PNG
(CHEMBL2205612)
Show SMILES CC(C)(C)C(=O)c1c(NC(=O)c2ccccc2C(F)(F)F)sc2COCCc12
Show InChI InChI=1S/C20H20F3NO3S/c1-19(2,3)16(25)15-12-8-9-27-10-14(12)28-18(15)24-17(26)11-6-4-5-7-13(11)20(21,22)23/h4-7H,8-10H2,1-3H3,(H,24,26)
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PC cid
PC sid
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Similars

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



Nycomed Pharma Pvt. Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor after 4 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 22: 7314-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.087
BindingDB Entry DOI: 10.7270/Q2QR4Z9V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50402877
PNG
(CHEMBL2205612)
Show SMILES CC(C)(C)C(=O)c1c(NC(=O)c2ccccc2C(F)(F)F)sc2COCCc12
Show InChI InChI=1S/C20H20F3NO3S/c1-19(2,3)16(25)15-12-8-9-27-10-14(12)28-18(15)24-17(26)11-6-4-5-7-13(11)20(21,22)23/h4-7H,8-10H2,1-3H3,(H,24,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 897n/an/an/an/a



Nycomed Pharma Pvt. Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor after 4 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 22: 7314-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.087
BindingDB Entry DOI: 10.7270/Q2QR4Z9V
More data for this
Ligand-Target Pair