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BDBM50315219 1-(4-(4,6-di(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3,5-triazin-2-yl)phenyl)-3-(pyridin-4-yl)urea::CHEMBL1092653

SMILES: O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(nc(n1)N1CC2CCC(C1)O2)N1CC2CCC(C1)O2

InChI Key: InChIKey=JFCKMBPGXIYQDH-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50315219   
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)
BDBM50315219
PNG
(1-(4-(4,6-di(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-...)
Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(nc(n1)N1CC2CCC(C1)O2)N1CC2CCC(C1)O2 |TLB:18:30:37:33.34,20:22:29:25.26|
Show InChI InChI=1S/C27H30N8O3/c36-27(30-19-9-11-28-12-10-19)29-18-3-1-17(2-4-18)24-31-25(34-13-20-5-6-21(14-34)37-20)33-26(32-24)35-15-22-7-8-23(16-35)38-22/h1-4,9-12,20-23H,5-8,13-16H2,(H2,28,29,30,36)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.5n/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