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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase mTOR' and Ligand = 'BDBM50315082'   
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
Serine/threonine-protein kinase mTOR


(Rattus norvegicus)
BDBM50315082
PNG
((R)-1-(4-(4-isopropylpiperazine-1-carbonyl)phenyl)...)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOC[C@H]2C)C2CCOCC2)cc1 |r|
Show InChI InChI=1S/C34H44N8O4/c1-23(2)40-14-16-41(17-15-40)32(43)27-6-10-29(11-7-27)36-34(44)35-28-8-4-25(5-9-28)30-37-31(26-12-19-45-20-13-26)39-33(38-30)42-18-21-46-22-24(42)3/h4-11,23-24,26H,12-22H2,1-3H3,(H2,35,36,44)/t24-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of rat brain mTOR assessed as p70S6k-GST protein phosphorylation after 30 mins by ELISA


Bioorg Med Chem Lett 20: 2654-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.029
BindingDB Entry DOI: 10.7270/Q2959HQ5
More data for this
Ligand-Target Pair