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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 = 'BDBM50528808'   
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


(Homo sapiens (Human))
BDBM50528808
PNG
(CHEMBL4476530)
Show SMILES CN(C)C1(Cc2ccccc2)CCN(CC1)c1cc(ccc1CNC(=O)NCc1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
Show InChI InChI=1S/C31H37F4N5O3S/c1-39(2)30(19-22-7-5-4-6-8-22)13-15-40(16-14-30)28-18-25(31(33,34)35)11-10-24(28)21-37-29(41)36-20-23-9-12-27(26(32)17-23)38-44(3,42)43/h4-12,17-18,38H,13-16,19-21H2,1-3H3,(H2,36,37,41)
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PC cid
PC sid
UniChem
Article
PubMed
266n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from recombinant human TRPV1 expressed in CHO cells incubated for 60 mins by liquid scintillation counter


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111634
BindingDB Entry DOI: 10.7270/Q2765JR7
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50528808
PNG
(CHEMBL4476530)
Show SMILES CN(C)C1(Cc2ccccc2)CCN(CC1)c1cc(ccc1CNC(=O)NCc1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
Show InChI InChI=1S/C31H37F4N5O3S/c1-39(2)30(19-22-7-5-4-6-8-22)13-15-40(16-14-30)28-18-25(31(33,34)35)11-10-24(28)21-37-29(41)36-20-23-9-12-27(26(32)17-23)38-44(3,42)43/h4-12,17-18,38H,13-16,19-21H2,1-3H3,(H2,36,37,41)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 86n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human TRPV1 expressed in CHO cells assessed as as inhibition of capsaicin-induced calcium uptake incubated for 5 m...


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111634
BindingDB Entry DOI: 10.7270/Q2765JR7
More data for this
Ligand-Target Pair