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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 = 'BDBM50428130'   
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))
BDBM50428130
PNG
(CHEMBL2331558)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2CN(CCc2c(n1)N1CCOC[C@@H]1C)C1CCCC1 |r|
Show InChI InChI=1S/C26H36N6O2/c1-3-27-26(33)28-20-10-8-19(9-11-20)24-29-23-16-31(21-6-4-5-7-21)13-12-22(23)25(30-24)32-14-15-34-17-18(32)2/h8-11,18,21H,3-7,12-17H2,1-2H3,(H2,27,28,33)/t18-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
4.80n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant mTOR (1360 to 2549)+GBL (unknown origin) using GFP-4E-BP1 as substrate after 30 mins by FRET assay


ACS Med Chem Lett 4: 103-7 (2013)


Article DOI: 10.1021/ml3003132
BindingDB Entry DOI: 10.7270/Q28C9XK3
More data for this
Ligand-Target Pair