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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily V member 1' and Ligand = 'BDBM50142759'   
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


(Rattus norvegicus (rat))
BDBM50142759
PNG
((R)-N-(4-(1-(3-(4-tert-butylbenzyl)thioureido)ethy...)
Show SMILES C[C@@H](NC(=S)NCc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C21H29N3O2S2/c1-15(17-8-12-19(13-9-17)24-28(5,25)26)23-20(27)22-14-16-6-10-18(11-7-16)21(2,3)4/h6-13,15,24H,14H2,1-5H3,(H2,22,23,27)/t15-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated intracellular 45Ca2+ influx by scintillat...


Bioorg Med Chem 18: 111-6 (2010)


Article DOI: 10.1016/j.bmc.2009.11.014
BindingDB Entry DOI: 10.7270/Q2TQ61NH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50142759
PNG
((R)-N-(4-(1-(3-(4-tert-butylbenzyl)thioureido)ethy...)
Show SMILES C[C@@H](NC(=S)NCc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C21H29N3O2S2/c1-15(17-8-12-19(13-9-17)24-28(5,25)26)23-20(27)22-14-16-6-10-18(11-7-16)21(2,3)4/h6-13,15,24H,14H2,1-5H3,(H2,22,23,27)/t15-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in neonatal rat DRG neurons assessed as inhibition of capsaicin-induced intracellular calcium after 10 mins in presence ...


Bioorg Med Chem Lett 28: 2080-2083 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.044
BindingDB Entry DOI: 10.7270/Q2NZ8B44
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50142759
PNG
((R)-N-(4-(1-(3-(4-tert-butylbenzyl)thioureido)ethy...)
Show SMILES C[C@@H](NC(=S)NCc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C21H29N3O2S2/c1-15(17-8-12-19(13-9-17)24-28(5,25)26)23-20(27)22-14-16-6-10-18(11-7-16)21(2,3)4/h6-13,15,24H,14H2,1-5H3,(H2,22,23,27)/t15-/m1/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Agonist activity at TRPV1 in neonatal rat DRG neurons assessed as increase in calcium influx after 10 mins in presence of 45Ca2+ by Beckman CP scinti...


Bioorg Med Chem Lett 28: 2080-2083 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.044
BindingDB Entry DOI: 10.7270/Q2NZ8B44
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50142759
PNG
((R)-N-(4-(1-(3-(4-tert-butylbenzyl)thioureido)ethy...)
Show SMILES C[C@@H](NC(=S)NCc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C21H29N3O2S2/c1-15(17-8-12-19(13-9-17)24-28(5,25)26)23-20(27)22-14-16-6-10-18(11-7-16)21(2,3)4/h6-13,15,24H,14H2,1-5H3,(H2,22,23,27)/t15-/m1/s1
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PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Agonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as intracellular 45Ca2+ influx by scintillation counting


Bioorg Med Chem 18: 111-6 (2010)


Article DOI: 10.1016/j.bmc.2009.11.014
BindingDB Entry DOI: 10.7270/Q2TQ61NH
More data for this
Ligand-Target Pair