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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 = 'BDBM50082242'   
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))
BDBM50082242
PNG
(2-[4-(2-Amino-ethoxy)-3-methoxy-phenyl]-N-[3-(3,4-...)
Show SMILES COc1cc(CC(=O)NCCCc2ccc(C)c(C)c2)ccc1OCCN
Show InChI InChI=1S/C22H30N2O3/c1-16-6-7-18(13-17(16)2)5-4-11-24-22(25)15-19-8-9-20(27-12-10-23)21(14-19)26-3/h6-9,13-14H,4-5,10-12,15,23H2,1-3H3,(H,24,25)
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PC sid
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Article
PubMed
930n/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))
BDBM50082242
PNG
(2-[4-(2-Amino-ethoxy)-3-methoxy-phenyl]-N-[3-(3,4-...)
Show SMILES COc1cc(CC(=O)NCCCc2ccc(C)c(C)c2)ccc1OCCN
Show InChI InChI=1S/C22H30N2O3/c1-16-6-7-18(13-17(16)2)5-4-11-24-22(25)15-19-8-9-20(27-12-10-23)21(14-19)26-3/h6-9,13-14H,4-5,10-12,15,23H2,1-3H3,(H,24,25)
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PubMed
1.40E+3n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards vanilloid receptor by [3H]RTX displacement.


Bioorg Med Chem Lett 9: 2909-14 (1999)


BindingDB Entry DOI: 10.7270/Q2HT2PTB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50082242
PNG
(2-[4-(2-Amino-ethoxy)-3-methoxy-phenyl]-N-[3-(3,4-...)
Show SMILES COc1cc(CC(=O)NCCCc2ccc(C)c(C)c2)ccc1OCCN
Show InChI InChI=1S/C22H30N2O3/c1-16-6-7-18(13-17(16)2)5-4-11-24-22(25)15-19-8-9-20(27-12-10-23)21(14-19)26-3/h6-9,13-14H,4-5,10-12,15,23H2,1-3H3,(H,24,25)
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UniChem

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Article
PubMed
n/an/an/an/a 589n/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