BindingDB logo
myBDB logout

BDBM50398508 CHEMBL2178066

SMILES: CC(C(=O)NCc1ccc(nc1N(C)c1ccccc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1

InChI Key: InChIKey=XVTZVRVVPOXNSG-UHFFFAOYSA-N

Data: 1 KI  1 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 = 50398508   
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
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50398508
PNG
(CHEMBL2178066)
Show SMILES CC(C(=O)NCc1ccc(nc1N(C)c1ccccc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C24H24F4N4O3S/c1-15(16-9-11-20(19(25)13-16)31-36(3,34)35)23(33)29-14-17-10-12-21(24(26,27)28)30-22(17)32(2)18-7-5-4-6-8-18/h4-13,15,31H,14H2,1-3H3,(H,29,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


J Med Chem 55: 8392-408 (2012)


Article DOI: 10.1021/jm300780p
BindingDB Entry DOI: 10.7270/Q2TX3GH1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50398508
PNG
(CHEMBL2178066)
Show SMILES CC(C(=O)NCc1ccc(nc1N(C)c1ccccc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C24H24F4N4O3S/c1-15(16-9-11-20(19(25)13-16)31-36(3,34)35)23(33)29-14-17-10-12-21(24(26,27)28)30-22(17)32(2)18-7-5-4-6-8-18/h4-13,15,31H,14H2,1-3H3,(H,29,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 57.4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of pH-induced activity by FLIPR assay


J Med Chem 55: 8392-408 (2012)


Article DOI: 10.1021/jm300780p
BindingDB Entry DOI: 10.7270/Q2TX3GH1
More data for this
Ligand-Target Pair