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BDBM50492807 CHEMBL2414502

SMILES: CCCCCCCC(=O)Nc1nnc(s1)-c1cc(I)c(O)c(OC)c1

InChI Key: InChIKey=AOYSLMGJSODPFL-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 = 50492807   
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
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50492807
PNG
(CHEMBL2414502)
Show SMILES CCCCCCCC(=O)Nc1nnc(s1)-c1cc(I)c(O)c(OC)c1
Show InChI InChI=1S/C17H22IN3O3S/c1-3-4-5-6-7-8-14(22)19-17-21-20-16(25-17)11-9-12(18)15(23)13(10-11)24-2/h9-10,23H,3-8H2,1-2H3,(H,19,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.330n/an/an/an/an/an/a



University of Concepcion

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 receptor expressed in HEK293T cells assessed as inhibition of capsaicin-induced calcium flux after 30 mins by Fluo-4...


Eur J Med Chem 66: 193-203 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.001
BindingDB Entry DOI: 10.7270/Q21839FC
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50492807
PNG
(CHEMBL2414502)
Show SMILES CCCCCCCC(=O)Nc1nnc(s1)-c1cc(I)c(O)c(OC)c1
Show InChI InChI=1S/C17H22IN3O3S/c1-3-4-5-6-7-8-14(22)19-17-21-20-16(25-17)11-9-12(18)15(23)13(10-11)24-2/h9-10,23H,3-8H2,1-2H3,(H,19,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



University of Concepcion

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 receptor expressed in HEK293T cells assessed as inhibition of temperature-induced calcium flux after 30 mins by Fluo...


Eur J Med Chem 66: 193-203 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.001
BindingDB Entry DOI: 10.7270/Q21839FC
More data for this
Ligand-Target Pair