new BindingDB logo
myBDB logout

BDBM50128986 CHEMBL3629497

SMILES: CC(C(=O)NCc1ccc(cc1N1CCC(Cc2ccc(F)cc2)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1

InChI Key: InChIKey=MGMQOCLXTUKXGS-UHFFFAOYNA-N

Data: 1 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 1 hit for monomerid = 50128986   
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))
BDBM50128986
PNG
(CHEMBL3629497)
Show SMILES CC(C(=O)NCc1ccc(cc1N1CCC(Cc2ccc(F)cc2)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C30H32F5N3O3S/c1-19(22-6-10-27(26(32)16-22)37-42(2,40)41)29(39)36-18-23-5-7-24(30(33,34)35)17-28(23)38-13-11-21(12-14-38)15-20-3-8-25(31)9-4-20/h3-10,16-17,19,21,37H,11-15,18H2,1-2H3,(H,36,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.400n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


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


Bioorg Med Chem 23: 6844-54 (2015)


BindingDB Entry DOI: 10.7270/Q2DZ0B4X
More data for this
Ligand-Target Pair