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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 = 'BDBM50388104'   
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))
BDBM50388104
PNG
(CHEMBL2058170)
Show SMILES Nc1ncc(cn1)-c1cn2cc(nc2c(n1)N1CCOCC1)C(=O)NC1CCOCC1
Show InChI InChI=1S/C20H24N8O3/c21-20-22-9-13(10-23-20)15-11-28-12-16(19(29)24-14-1-5-30-6-2-14)26-18(28)17(25-15)27-3-7-31-8-4-27/h9-12,14H,1-8H2,(H,24,29)(H2,21,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 751n/an/an/an/an/an/a



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair