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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily V member 1' and Ligand = 'BDBM50226434'   
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))
BDBM50226434
PNG
(CHEMBL392540 | [L-arginyl]-N-[2-(indol-3-yl)ethyl]...)
Show SMILES N[C@@H](CCCN=C(N)N)C(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCCc1c[nH]c2ccccc12 |wD:1.0,(8.54,-38.39,;9.88,-39.16,;9.88,-40.7,;8.54,-41.47,;8.54,-43.01,;7.21,-43.78,;7.21,-45.32,;5.87,-46.09,;8.54,-46.09,;11.21,-38.39,;11.21,-36.85,;12.54,-39.16,;12.54,-40.7,;13.88,-41.47,;13.88,-43.01,;12.64,-43.92,;13.11,-45.38,;14.65,-45.38,;15.68,-46.52,;17.18,-46.2,;17.65,-44.73,;16.62,-43.6,;15.13,-43.92,;13.88,-38.39,;15.21,-39.16,;15.21,-40.7,;16.55,-38.39,;16.55,-36.85,;15.21,-36.08,;15.21,-34.54,;16.45,-33.64,;15.98,-32.18,;14.44,-32.17,;13.41,-31.03,;11.9,-31.35,;11.42,-32.83,;12.46,-33.96,;13.96,-33.64,)|
Show InChI InChI=1S/C28H36N8O2/c29-23(8-5-13-33-28(30)31)27(38)36(15-12-20-17-35-25-10-4-2-7-22(20)25)18-26(37)32-14-11-19-16-34-24-9-3-1-6-21(19)24/h1-4,6-7,9-10,16-17,23,34-35H,5,8,11-15,18,29H2,(H,32,37)(H4,30,31,33)/t23-/m0/s1
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Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Blockade of capsaicin-activated rat TRPV1 channel expressed in Xenopus oocytes


J Med Chem 50: 6133-43 (2007)


Article DOI: 10.1021/jm070612v
BindingDB Entry DOI: 10.7270/Q2FQ9WC0
More data for this
Ligand-Target Pair