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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily V member 1' and Ligand = 'BDBM50434924'   
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))
BDBM50434924
PNG
(CHEMBL2385416)
Show SMILES CC(C(=O)NCc1ccc(nc1OC1CCCC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C22H25F4N3O4S/c1-13(14-7-9-18(17(23)11-14)29-34(2,31)32)20(30)27-12-15-8-10-19(22(24,25)26)28-21(15)33-16-5-3-4-6-16/h7-11,13,16,29H,3-6,12H2,1-2H3,(H,27,30)
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0.900n/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
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50434924
PNG
(CHEMBL2385416)
Show SMILES CC(C(=O)NCc1ccc(nc1OC1CCCC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C22H25F4N3O4S/c1-13(14-7-9-18(17(23)11-14)29-34(2,31)32)20(30)27-12-15-8-10-19(22(24,25)26)28-21(15)33-16-5-3-4-6-16/h7-11,13,16,29H,3-6,12H2,1-2H3,(H,27,30)
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0.900n/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


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50434924
PNG
(CHEMBL2385416)
Show SMILES CC(C(=O)NCc1ccc(nc1OC1CCCC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C22H25F4N3O4S/c1-13(14-7-9-18(17(23)11-14)29-34(2,31)32)20(30)27-12-15-8-10-19(22(24,25)26)28-21(15)33-16-5-3-4-6-16/h7-11,13,16,29H,3-6,12H2,1-2H3,(H,27,30)
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PubMed
n/an/a 29n/an/an/an/a6.0n/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of pH 6 to 6.3-induced activity by FLIPR assay


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair