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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily V member 1' and Ligand = 'BDBM50442387'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50442387
PNG
(CHEMBL2442900)
Show SMILES CC(C(=O)NCc1ccc(nc1SCCOc1ccccc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C25H25F4N3O4S2/c1-16(17-8-10-21(20(26)14-17)32-38(2,34)35)23(33)30-15-18-9-11-22(25(27,28)29)31-24(18)37-13-12-36-19-6-4-3-5-7-19/h3-11,14,16,32H,12-13,15H2,1-2H3,(H,30,33)
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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))
BDBM50442387
PNG
(CHEMBL2442900)
Show SMILES CC(C(=O)NCc1ccc(nc1SCCOc1ccccc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C25H25F4N3O4S2/c1-16(17-8-10-21(20(26)14-17)32-38(2,34)35)23(33)30-15-18-9-11-22(25(27,28)29)31-24(18)37-13-12-36-19-6-4-3-5-7-19/h3-11,14,16,32H,12-13,15H2,1-2H3,(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 118n/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