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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 = 'BDBM50388105'   
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))
BDBM50388105
PNG
(CHEMBL2058169)
Show SMILES Nc1ncc(cn1)-c1cn2cc(nc2c(n1)N1CCOCC1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C21H27N9O3/c22-21-24-11-15(12-25-21)16-13-30-14-17(20(31)23-1-2-28-3-7-32-8-4-28)27-19(30)18(26-16)29-5-9-33-10-6-29/h11-14H,1-10H2,(H,23,31)(H2,22,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/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