BindingDB logo
myBDB logout

BDBM50492804 CHEMBL2414499

SMILES: CCCCCCC(=O)Nc1nnc(s1)-c1ccc(O)c(OC)c1

InChI Key: InChIKey=IITOGCQJPPIAMI-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 = 50492804   
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))
BDBM50492804
PNG
(CHEMBL2414499)
Show SMILES CCCCCCC(=O)Nc1nnc(s1)-c1ccc(O)c(OC)c1
Show InChI InChI=1S/C16H21N3O3S/c1-3-4-5-6-7-14(21)17-16-19-18-15(23-16)11-8-9-12(20)13(10-11)22-2/h8-10,20H,3-7H2,1-2H3,(H,17,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30n/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
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50492804
PNG
(CHEMBL2414499)
Show SMILES CCCCCCC(=O)Nc1nnc(s1)-c1ccc(O)c(OC)c1
Show InChI InChI=1S/C16H21N3O3S/c1-3-4-5-6-7-14(21)17-16-19-18-15(23-16)11-8-9-12(20)13(10-11)22-2/h8-10,20H,3-7H2,1-2H3,(H,17,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.770n/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