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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 = 'BDBM50315212'   
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)
BDBM50315212
PNG
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(3...)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CC3CCC(C2)O3)N2C3CCC2COC3)cc1 |TLB:25:27:34:30.31|
Show InChI InChI=1S/C33H41N9O3/c1-39-14-16-40(17-15-39)25-8-6-24(7-9-25)35-33(43)34-23-4-2-22(3-5-23)30-36-31(41-18-28-12-13-29(19-41)45-28)38-32(37-30)42-26-10-11-27(42)21-44-20-26/h2-9,26-29H,10-21H2,1H3,(H2,34,35,43)
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: 2644-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.045
BindingDB Entry DOI: 10.7270/Q2HQ402X
More data for this
Ligand-Target Pair