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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 = 'BDBM50420737'   
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))
BDBM50420737
PNG
(CHEMBL2087491)
Show SMILES CS(=O)(=O)N1CCN(Cc2nc3c(nc(cn3c2Br)-c2cnc(N)nc2)N2CCOCC2)CC1
Show InChI InChI=1S/C20H26BrN9O3S/c1-34(31,32)29-4-2-27(3-5-29)12-16-17(21)30-13-15(14-10-23-20(22)24-11-14)25-18(19(30)26-16)28-6-8-33-9-7-28/h10-11,13H,2-9,12H2,1H3,(H2,22,23,24)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.10E+3n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 22: 3460-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.090
BindingDB Entry DOI: 10.7270/Q26W9CCB
More data for this
Ligand-Target Pair