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BDBM50442370 CHEMBL2442923

SMILES: COc1ccc(CSc2nc(ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)C(F)(F)F)cc1

InChI Key: InChIKey=AZKQDYNHIYABDJ-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 = 50442370   
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))
BDBM50442370
PNG
(CHEMBL2442923)
Show SMILES COc1ccc(CSc2nc(ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)C(F)(F)F)cc1
Show InChI InChI=1S/C25H25F4N3O4S2/c1-15(17-6-10-21(20(26)12-17)32-38(3,34)35)23(33)30-13-18-7-11-22(25(27,28)29)31-24(18)37-14-16-4-8-19(36-2)9-5-16/h4-12,15,32H,13-14H2,1-3H3,(H,30,33)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
2.30n/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
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50442370
PNG
(CHEMBL2442923)
Show SMILES COc1ccc(CSc2nc(ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)C(F)(F)F)cc1
Show InChI InChI=1S/C25H25F4N3O4S2/c1-15(17-6-10-21(20(26)12-17)32-38(3,34)35)23(33)30-13-18-7-11-22(25(27,28)29)31-24(18)37-14-16-4-8-19(36-2)9-5-16/h4-12,15,32H,13-14H2,1-3H3,(H,30,33)
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 279n/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


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