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BDBM50315218 1-cyclopropyl-3-(4-(4,6-di(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3,5-triazin-2-yl)phenyl)urea::CHEMBL1092909

SMILES: O=C(NC1CC1)Nc1ccc(cc1)-c1nc(nc(n1)N1CC2CCC(C1)O2)N1CC2CCC(C1)O2

InChI Key: InChIKey=UITCJJGEVHFUFH-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50315218   
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)
BDBM50315218
PNG
(1-cyclopropyl-3-(4-(4,6-di(8-oxa-3-azabicyclo[3.2....)
Show SMILES O=C(NC1CC1)Nc1ccc(cc1)-c1nc(nc(n1)N1CC2CCC(C1)O2)N1CC2CCC(C1)O2 |TLB:17:19:26:22.23,15:27:34:30.31|
Show InChI InChI=1S/C25H31N7O3/c33-25(27-17-5-6-17)26-16-3-1-15(2-4-16)22-28-23(31-11-18-7-8-19(12-31)34-18)30-24(29-22)32-13-20-9-10-21(14-32)35-20/h1-4,17-21H,5-14H2,(H2,26,27,33)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.60n/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