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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 = 'BDBM50226433'   
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))
BDBM50226433
PNG
(CHEMBL395124 | [L-arginyl]-[N-[2-(indol-3-yl)-ethy...)
Show SMILES N[C@@H](CCCN=C(N)N)C(=O)N(CCc1c[nH]c2ccccc12)CC(=O)N(CCc1c[nH]c2ccccc12)CC(N)=O |wD:1.0,(12.78,-1.15,;14.12,-1.92,;14.12,-3.46,;12.78,-4.23,;12.78,-5.77,;11.45,-6.54,;11.45,-8.08,;10.11,-8.85,;12.78,-8.85,;15.45,-1.15,;15.45,.39,;16.78,-1.92,;16.78,-3.46,;18.12,-4.23,;18.12,-5.77,;16.87,-6.68,;17.35,-8.14,;18.89,-8.14,;19.91,-9.28,;21.42,-8.96,;21.89,-7.49,;20.86,-6.36,;19.37,-6.68,;18.12,-1.15,;19.45,-1.92,;19.45,-3.46,;20.78,-1.15,;20.78,.39,;19.45,1.16,;19.45,2.7,;20.69,3.6,;20.22,5.06,;18.68,5.07,;17.65,6.21,;16.14,5.89,;15.66,4.41,;16.7,3.28,;18.2,3.6,;22.12,-1.92,;23.45,-1.15,;24.79,-1.92,;23.45,.39,)|
Show InChI InChI=1S/C30H39N9O3/c31-24(8-5-13-35-30(33)34)29(42)39(15-12-21-17-37-26-10-4-2-7-23(21)26)19-28(41)38(18-27(32)40)14-11-20-16-36-25-9-3-1-6-22(20)25/h1-4,6-7,9-10,16-17,24,36-37H,5,8,11-15,18-19,31H2,(H2,32,40)(H4,33,34,35)/t24-/m0/s1
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MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.33E+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