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BDBM50129003 CHEMBL3627939

SMILES: CC(C)COc1cc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F

InChI Key: InChIKey=JLZUTOBQHBYPQD-UHFFFAOYNA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50129003   
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))
BDBM50129003
PNG
(CHEMBL3627939)
Show SMILES CC(C)COc1cc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
Show InChI InChI=1/C22H26F4N2O4S/c1-13(2)12-32-20-10-17(22(24,25)26)7-5-16(20)11-27-21(29)14(3)15-6-8-19(18(23)9-15)28-33(4,30)31/h5-10,13-14,28H,11-12H2,1-4H3,(H,27,29)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
PubMed
0.800n/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