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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 = 'BDBM50315084'   
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)
BDBM50315084
PNG
(1-(4-(4,6-bis((R)-3-methylmorpholino)-1,3,5-triazi...)
Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(CN(C)C)cc2)cc1)N1CCOC[C@H]1C |r|
Show InChI InChI=1S/C29H38N8O3/c1-20-18-39-15-13-36(20)27-32-26(33-28(34-27)37-14-16-40-19-21(37)2)23-7-11-25(12-8-23)31-29(38)30-24-9-5-22(6-10-24)17-35(3)4/h5-12,20-21H,13-19H2,1-4H3,(H2,30,31,38)/t20-,21-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/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