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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 = 'BDBM50362829'   
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))
BDBM50362829
PNG
(CHEMBL1940187)
Show SMILES CC(C)(C)c1ccc(CNC(=O)C(C)(C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C22H29FN2O3S/c1-21(2,3)16-9-7-15(8-10-16)14-24-20(26)22(4,5)17-11-12-19(18(23)13-17)25-29(6,27)28/h7-13,25H,14H2,1-6H3,(H,24,26)
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
467n/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
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50362829
PNG
(CHEMBL1940187)
Show SMILES CC(C)(C)c1ccc(CNC(=O)C(C)(C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C22H29FN2O3S/c1-21(2,3)16-9-7-15(8-10-16)14-24-20(26)22(4,5)17-11-12-19(18(23)13-17)25-29(6,27)28/h7-13,25H,14H2,1-6H3,(H,24,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.07E+3n/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