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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 = 'BDBM50442383'   
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))
BDBM50442383
PNG
(CHEMBL2442905)
Show SMILES CC(C(=O)NCc1ccc(nc1SCCCN1CCC(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C26H34F4N4O3S2/c1-17-9-12-34(13-10-17)11-4-14-38-25-20(6-8-23(32-25)26(28,29)30)16-31-24(35)18(2)19-5-7-22(21(27)15-19)33-39(3,36)37/h5-8,15,17-18,33H,4,9-14,16H2,1-3H3,(H,31,35)
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PC cid
PC sid
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Similars

Article
PubMed
2.90n/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


Bioorg Med Chem 21: 6657-64 (2013)


Article DOI: 10.1016/j.bmc.2013.08.015
BindingDB Entry DOI: 10.7270/Q26Q1ZPN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50442383
PNG
(CHEMBL2442905)
Show SMILES CC(C(=O)NCc1ccc(nc1SCCCN1CCC(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C26H34F4N4O3S2/c1-17-9-12-34(13-10-17)11-4-14-38-25-20(6-8-23(32-25)26(28,29)30)16-31-24(35)18(2)19-5-7-22(21(27)15-19)33-39(3,36)37/h5-8,15,17-18,33H,4,9-14,16H2,1-3H3,(H,31,35)
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 217n/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 pH-induced activity by FLIPR assay


Bioorg Med Chem 21: 6657-64 (2013)


Article DOI: 10.1016/j.bmc.2013.08.015
BindingDB Entry DOI: 10.7270/Q26Q1ZPN
More data for this
Ligand-Target Pair