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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 = 'BDBM50094476'   
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))
BDBM50094476
PNG
(CHEMBL3590222)
Show SMILES CN(C)CC(=O)N1CCC(CC1)c1nc(-c2cnc(N)c(n2)-n2nnc3ccccc23)n(C)n1
Show InChI InChI=1S/C22H27N11O/c1-30(2)13-18(34)32-10-8-14(9-11-32)20-26-21(31(3)28-20)16-12-24-19(23)22(25-16)33-17-7-5-4-6-15(17)27-29-33/h4-7,12,14H,8-11,13H2,1-3H3,(H2,23,24)
PDB
MMDB

NCI pathway
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of m-TOR (unknown origin)


Bioorg Med Chem Lett 25: 2679-85 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S
More data for this
Ligand-Target Pair