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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 = 'BDBM50315097'   
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)
BDBM50315097
PNG
(1-(4-(4,6-bis((R)-3-methylmorpholino)-1,3,5-triazi...)
Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccncc2)cc1)N1CCOC[C@H]1C |r|
Show InChI InChI=1S/C25H30N8O3/c1-17-15-35-13-11-32(17)23-29-22(30-24(31-23)33-12-14-36-16-18(33)2)19-3-5-20(6-4-19)27-25(34)28-21-7-9-26-10-8-21/h3-10,17-18H,11-16H2,1-2H3,(H2,26,27,28,34)/t17-,18-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.200n/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