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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 = 'BDBM50017584'   
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))
BDBM50017584
PNG
(CHEMBL3288616)
Show SMILES CC(C)(C)C(=O)OC[C@@H](CNC(=S)NCc1ccc(NS(C)(=O)=O)cc1)Cc1ccccc1 |r|
Show InChI InChI=1S/C24H33N3O4S2/c1-24(2,3)22(28)31-17-20(14-18-8-6-5-7-9-18)16-26-23(32)25-15-19-10-12-21(13-11-19)27-33(4,29)30/h5-13,20,27H,14-17H2,1-4H3,(H2,25,26,32)/t20-/m1/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
64n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 heterologously expressed in CHO cells assessed as inhibition of capsaicin-induced [45Ca2+] uptake by liquid scintill...


Bioorg Med Chem Lett 24: 2685-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.054
BindingDB Entry DOI: 10.7270/Q26111VT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50017584
PNG
(CHEMBL3288616)
Show SMILES CC(C)(C)C(=O)OC[C@@H](CNC(=S)NCc1ccc(NS(C)(=O)=O)cc1)Cc1ccccc1 |r|
Show InChI InChI=1S/C24H33N3O4S2/c1-24(2,3)22(28)31-17-20(14-18-8-6-5-7-9-18)16-26-23(32)25-15-19-10-12-21(13-11-19)27-33(4,29)30/h5-13,20,27H,14-17H2,1-4H3,(H2,25,26,32)/t20-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
252n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from rat TRPV1 after 60 mins by competitive binding assay


Bioorg Med Chem Lett 24: 2685-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.054
BindingDB Entry DOI: 10.7270/Q26111VT
More data for this
Ligand-Target Pair