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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 = 'BDBM50362826'   
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))
BDBM50362826
PNG
(CHEMBL1940190)
Show SMILES COc1cc(ccc1NS(C)(=O)=O)C1(CC1)C(=O)NCc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C23H30N2O4S/c1-22(2,3)17-8-6-16(7-9-17)15-24-21(26)23(12-13-23)18-10-11-19(20(14-18)29-4)25-30(5,27)28/h6-11,14,25H,12-13,15H2,1-5H3,(H,24,26)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
750n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


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


Bioorg Med Chem 20: 1310-8 (2012)


Article DOI: 10.1016/j.bmc.2011.12.014
BindingDB Entry DOI: 10.7270/Q2ZK5H3M
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50362826
PNG
(CHEMBL1940190)
Show SMILES COc1cc(ccc1NS(C)(=O)=O)C1(CC1)C(=O)NCc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C23H30N2O4S/c1-22(2,3)17-8-6-16(7-9-17)15-24-21(26)23(12-13-23)18-10-11-19(20(14-18)29-4)25-30(5,27)28/h6-11,14,25H,12-13,15H2,1-5H3,(H,24,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.25E+3n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells by 45Ca2+ uptake assay


Bioorg Med Chem 20: 1310-8 (2012)


Article DOI: 10.1016/j.bmc.2011.12.014
BindingDB Entry DOI: 10.7270/Q2ZK5H3M
More data for this
Ligand-Target Pair