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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 = 'BDBM50226430'   
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))
BDBM50226430
PNG
(CHEMBL400008 | [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)N(CCc1ccc(Cl)cc1Cl)CC(N)=O |wD:1.0,(27.93,-2.09,;29.26,-2.86,;29.26,-4.4,;27.92,-5.17,;27.92,-6.71,;26.59,-7.48,;26.59,-9.02,;25.26,-9.79,;27.92,-9.79,;30.59,-2.09,;30.59,-.55,;31.93,-2.86,;31.93,-4.4,;33.26,-5.17,;33.26,-6.71,;32.02,-7.62,;32.49,-9.08,;34.03,-9.08,;35.06,-10.22,;36.56,-9.9,;37.04,-8.43,;36.01,-7.3,;34.51,-7.62,;33.26,-2.09,;34.59,-2.86,;34.59,-4.4,;35.93,-2.09,;35.93,-.55,;34.59,.22,;34.6,1.76,;33.26,2.53,;33.26,4.08,;34.59,4.85,;34.59,6.39,;35.93,4.08,;35.93,2.53,;37.27,1.76,;37.26,-2.86,;38.6,-2.09,;39.93,-2.86,;38.6,-.55,)|
Show InChI InChI=1S/C28H36Cl2N8O3/c29-20-8-7-18(22(30)14-20)9-12-37(16-25(32)39)26(40)17-38(27(41)23(31)5-3-11-35-28(33)34)13-10-19-15-36-24-6-2-1-4-21(19)24/h1-2,4,6-8,14-15,23,36H,3,5,9-13,16-17,31H2,(H2,32,39)(H4,33,34,35)/t23-/m0/s1
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MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 520n/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