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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 = 'BDBM50434918'   
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))
BDBM50434918
PNG
(CHEMBL2385241)
Show SMILES CC(C(=O)NCc1ccc(nc1OC1CCC(C)(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C25H31F4N3O4S/c1-15(16-5-7-20(19(26)13-16)32-37(4,34)35)22(33)30-14-17-6-8-21(25(27,28)29)31-23(17)36-18-9-11-24(2,3)12-10-18/h5-8,13,15,18,32H,9-12,14H2,1-4H3,(H,30,33)
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PC cid
PC sid
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Similars

Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50434918
PNG
(CHEMBL2385241)
Show SMILES CC(C(=O)NCc1ccc(nc1OC1CCC(C)(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C25H31F4N3O4S/c1-15(16-5-7-20(19(26)13-16)32-37(4,34)35)22(33)30-14-17-6-8-21(25(27,28)29)31-23(17)36-18-9-11-24(2,3)12-10-18/h5-8,13,15,18,32H,9-12,14H2,1-4H3,(H,30,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 140n/an/an/an/a6.0n/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of pH 6 to 6.3-induced activity by FLIPR assay


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair