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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily V member 1' and Ligand = 'BDBM50055028'   
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))
BDBM50055028
PNG
(1-[4-(2-Amino-ethoxy)-3-methoxy-benzyl]-3-(4-tert-...)
Show SMILES COc1cc(CNC(=S)NCc2ccc(cc2)C(C)(C)C)ccc1OCCN
Show InChI InChI=1S/C22H31N3O2S/c1-22(2,3)18-8-5-16(6-9-18)14-24-21(28)25-15-17-7-10-19(27-12-11-23)20(13-17)26-4/h5-10,13H,11-12,14-15,23H2,1-4H3,(H2,24,25,28)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
84n/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))
BDBM50055028
PNG
(1-[4-(2-Amino-ethoxy)-3-methoxy-benzyl]-3-(4-tert-...)
Show SMILES COc1cc(CNC(=S)NCc2ccc(cc2)C(C)(C)C)ccc1OCCN
Show InChI InChI=1S/C22H31N3O2S/c1-22(2,3)18-8-5-16(6-9-18)14-24-21(28)25-15-17-7-10-19(27-12-11-23)20(13-17)26-4/h5-10,13H,11-12,14-15,23H2,1-4H3,(H2,24,25,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 132n/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