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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 = 'BDBM50447250'   
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


(Homo sapiens (Human))
BDBM50447250
PNG
(CHEMBL3113389)
Show SMILES CNS(=O)(=O)c1cc(ccc1C)-c1nnc(Nc2ccc(OCC(N)=O)cc2)c2ccccc12
Show InChI InChI=1S/C24H23N5O4S/c1-15-7-8-16(13-21(15)34(31,32)26-2)23-19-5-3-4-6-20(19)24(29-28-23)27-17-9-11-18(12-10-17)33-14-22(25)30/h3-13,26H,14H2,1-2H3,(H2,25,30)(H,27,29)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.22E+4n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) by KINOMEscan assay


Bioorg Med Chem Lett 24: 835-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.081
BindingDB Entry DOI: 10.7270/Q23B61MR
More data for this
Ligand-Target Pair