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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily V member 1' and Ligand = 'BDBM125059'   
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))
BDBM125059
PNG
(US8765733, 24)
Show SMILES CC1CCN(CC1)c1nc(ccc1CNC(=O)Nc1ccc(CNS(C)(=O)=O)c(F)c1)C(F)(F)F
Show InChI InChI=1S/C22H27F4N5O3S/c1-14-7-9-31(10-8-14)20-16(4-6-19(30-20)22(24,25)26)12-27-21(32)29-17-5-3-15(18(23)11-17)13-28-35(2,33)34/h3-6,11,14,28H,7-10,12-13H2,1-2H3,(H2,27,29,32)
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US Patent
5n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of 2 substance additions. First the compounds to be tested (10 μM) are pipetted onto the cells and the Ca2+ influx i...


US Patent US8765733 (2014)


BindingDB Entry DOI: 10.7270/Q2BZ64QQ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM125059
PNG
(US8765733, 24)
Show SMILES CC1CCN(CC1)c1nc(ccc1CNC(=O)Nc1ccc(CNS(C)(=O)=O)c(F)c1)C(F)(F)F
Show InChI InChI=1S/C22H27F4N5O3S/c1-14-7-9-31(10-8-14)20-16(4-6-19(30-20)22(24,25)26)12-27-21(32)29-17-5-3-15(18(23)11-17)13-28-35(2,33)34/h3-6,11,14,28H,7-10,12-13H2,1-2H3,(H2,27,29,32)
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Article
PubMed
6.80n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]-resiniferatoxin from human TRPV1 expressed in CHO cells incubated for 60 mins by scintillation counting analysis


Bioorg Med Chem Lett 26: 3603-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.010
BindingDB Entry DOI: 10.7270/Q2QC05FT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM125059
PNG
(US8765733, 24)
Show SMILES CC1CCN(CC1)c1nc(ccc1CNC(=O)Nc1ccc(CNS(C)(=O)=O)c(F)c1)C(F)(F)F
Show InChI InChI=1S/C22H27F4N5O3S/c1-14-7-9-31(10-8-14)20-16(4-6-19(30-20)22(24,25)26)12-27-21(32)29-17-5-3-15(18(23)11-17)13-28-35(2,33)34/h3-6,11,14,28H,7-10,12-13H2,1-2H3,(H2,27,29,32)
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Article
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6.80n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in CHO cell membranes after 45 mins by scintillation counting method


J Med Chem 60: 8246-8252 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00859
BindingDB Entry DOI: 10.7270/Q2QV3PNP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM125059
PNG
(US8765733, 24)
Show SMILES CC1CCN(CC1)c1nc(ccc1CNC(=O)Nc1ccc(CNS(C)(=O)=O)c(F)c1)C(F)(F)F
Show InChI InChI=1S/C22H27F4N5O3S/c1-14-7-9-31(10-8-14)20-16(4-6-19(30-20)22(24,25)26)12-27-21(32)29-17-5-3-15(18(23)11-17)13-28-35(2,33)34/h3-6,11,14,28H,7-10,12-13H2,1-2H3,(H2,27,29,32)
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12n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]MPOU from human TRPV1 expressed in CHO cell membranes after 45 mins by scintillation counting method


J Med Chem 60: 8246-8252 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00859
BindingDB Entry DOI: 10.7270/Q2QV3PNP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM125059
PNG
(US8765733, 24)
Show SMILES CC1CCN(CC1)c1nc(ccc1CNC(=O)Nc1ccc(CNS(C)(=O)=O)c(F)c1)C(F)(F)F
Show InChI InChI=1S/C22H27F4N5O3S/c1-14-7-9-31(10-8-14)20-16(4-6-19(30-20)22(24,25)26)12-27-21(32)29-17-5-3-15(18(23)11-17)13-28-35(2,33)34/h3-6,11,14,28H,7-10,12-13H2,1-2H3,(H2,27,29,32)
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13n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced 45Ca2+ uptake incubated for 5 mins by liquid sc...


Bioorg Med Chem Lett 26: 3603-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.010
BindingDB Entry DOI: 10.7270/Q2QC05FT
More data for this
Ligand-Target Pair