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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 = 'BDBM50300077'   
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))
BDBM50300077
PNG
(CHEMBL578645 | ethyl 4-(6-(4-(3-ethylureido)phenyl...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)OCC)c2n1
Show InChI InChI=1S/C26H34N8O4/c1-3-27-25(35)29-19-7-5-18(6-8-19)22-30-23(32-13-15-37-16-14-32)21-17-28-34(24(21)31-22)20-9-11-33(12-10-20)26(36)38-4-2/h5-8,17,20H,3-4,9-16H2,1-2H3,(H2,27,29,35)
PDB
MMDB

NCI pathway
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.170n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Flag-tagged human mTOR by DELFIA method


J Med Chem 52: 7942-5 (2009)


Article DOI: 10.1021/jm901415x
BindingDB Entry DOI: 10.7270/Q2WM1DGH
More data for this
Ligand-Target Pair