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BDBM50315217 1-(4-(4,6-di(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3,5-triazin-2-yl)phenyl)-3-ethylurea::CHEMBL1092908

SMILES: CCNC(=O)Nc1ccc(cc1)-c1nc(nc(n1)N1CC2CCC(C1)O2)N1CC2CCC(C1)O2

InChI Key: InChIKey=WIKONSQJGJLYFP-UHFFFAOYSA-N

Data: 1 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50315217   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase mTOR


(Rattus norvegicus)
BDBM50315217
PNG
(1-(4-(4,6-di(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(nc(n1)N1CC2CCC(C1)O2)N1CC2CCC(C1)O2 |TLB:16:18:25:21.22,14:26:33:29.30|
Show InChI InChI=1S/C24H31N7O3/c1-2-25-24(32)26-16-5-3-15(4-6-16)21-27-22(30-11-17-7-8-18(12-30)33-17)29-23(28-21)31-13-19-9-10-20(14-31)34-19/h3-6,17-20H,2,7-14H2,1H3,(H2,25,26,32)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80n/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