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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 = 'BDBM50196351'   
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))
BDBM50196351
PNG
(1-(4-tert-Butyl-benzyl)-3-(4-hydroxy-3-methoxy-ben...)
Show SMILES COc1cc(CNC(=S)NCc2ccc(cc2)C(C)(C)C)ccc1O
Show InChI InChI=1S/C20H26N2O2S/c1-20(2,3)16-8-5-14(6-9-16)12-21-19(25)22-13-15-7-10-17(23)18(11-15)24-4/h5-11,23H,12-13H2,1-4H3,(H2,21,22,25)
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Article
PubMed
59n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells


Bioorg Med Chem Lett 22: 5227-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.059
BindingDB Entry DOI: 10.7270/Q2NS0VZB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50196351
PNG
(1-(4-tert-Butyl-benzyl)-3-(4-hydroxy-3-methoxy-ben...)
Show SMILES COc1cc(CNC(=S)NCc2ccc(cc2)C(C)(C)C)ccc1O
Show InChI InChI=1S/C20H26N2O2S/c1-20(2,3)16-8-5-14(6-9-16)12-21-19(25)22-13-15-7-10-17(23)18(11-15)24-4/h5-11,23H,12-13H2,1-4H3,(H2,21,22,25)
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59n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells


Bioorg Med Chem Lett 17: 214-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.059
BindingDB Entry DOI: 10.7270/Q27D2TSX
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50196351
PNG
(1-(4-tert-Butyl-benzyl)-3-(4-hydroxy-3-methoxy-ben...)
Show SMILES COc1cc(CNC(=S)NCc2ccc(cc2)C(C)(C)C)ccc1O
Show InChI InChI=1S/C20H26N2O2S/c1-20(2,3)16-8-5-14(6-9-16)12-21-19(25)22-13-15-7-10-17(23)18(11-15)24-4/h5-11,23H,12-13H2,1-4H3,(H2,21,22,25)
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n/an/an/an/a 2.60n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPV1 expressed in CHO cells assessed as calcium uptake


Bioorg Med Chem Lett 22: 5227-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.059
BindingDB Entry DOI: 10.7270/Q2NS0VZB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50196351
PNG
(1-(4-tert-Butyl-benzyl)-3-(4-hydroxy-3-methoxy-ben...)
Show SMILES COc1cc(CNC(=S)NCc2ccc(cc2)C(C)(C)C)ccc1O
Show InChI InChI=1S/C20H26N2O2S/c1-20(2,3)16-8-5-14(6-9-16)12-21-19(25)22-13-15-7-10-17(23)18(11-15)24-4/h5-11,23H,12-13H2,1-4H3,(H2,21,22,25)
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Article
PubMed
n/an/an/an/a 2.5n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPV1 expressed in CHO cells assessed as maximal calcium uptake


Bioorg Med Chem Lett 17: 214-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.059
BindingDB Entry DOI: 10.7270/Q27D2TSX
More data for this
Ligand-Target Pair