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BDBM50442375 CHEMBL2442918

SMILES: CCC1CCC(CC1)Sc1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F

InChI Key: InChIKey=NZHTZLLGTSKFQP-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50442375   
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))
BDBM50442375
PNG
(CHEMBL2442918)
Show SMILES CCC1CCC(CC1)Sc1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F |(.87,-10.7,;2.2,-11.48,;3.53,-10.71,;3.54,-9.18,;4.87,-8.41,;6.19,-9.19,;6.2,-10.72,;4.86,-11.49,;7.52,-8.42,;7.52,-6.87,;6.19,-6.1,;6.19,-4.56,;7.52,-3.79,;8.86,-4.56,;8.86,-6.1,;10.19,-6.87,;11.53,-6.1,;11.53,-4.56,;10.19,-3.79,;12.87,-3.79,;12.87,-2.24,;14.2,-4.56,;14.2,-6.1,;15.54,-6.87,;16.88,-6.1,;18.21,-6.87,;18.21,-8.41,;16.88,-9.19,;18.98,-9.74,;19.75,-8.41,;16.88,-4.56,;18.21,-3.79,;15.54,-3.79,;4.85,-3.79,;4.84,-2.25,;3.52,-4.56,;3.51,-3.01,)|
Show InChI InChI=1S/C25H31F4N3O3S2/c1-4-16-5-9-19(10-6-16)36-24-18(8-12-22(31-24)25(27,28)29)14-30-23(33)15(2)17-7-11-21(20(26)13-17)32-37(3,34)35/h7-8,11-13,15-16,19,32H,4-6,9-10,14H2,1-3H3,(H,30,33)
PDB
MMDB

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Article
PubMed
1n/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


Bioorg Med Chem 21: 6657-64 (2013)


Article DOI: 10.1016/j.bmc.2013.08.015
BindingDB Entry DOI: 10.7270/Q26Q1ZPN
More data for this
Ligand-Target Pair