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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 = 'BDBM151017'   
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))
BDBM151017
PNG
(US8987257, 30)
Show SMILES CC(=O)Nc1cccc(c1)-c1nc2c(nc(nc2[nH]1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C21H25N7O3/c1-14(29)22-16-4-2-3-15(13-16)18-23-17-19(24-18)25-21(28-7-11-31-12-8-28)26-20(17)27-5-9-30-10-6-27/h2-4,13H,5-12H2,1H3,(H,22,29)(H,23,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.45E+3n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
IC50s for mTOR interacting compounds were assessed using the FRAP1/mTOR TR-FRET tracer assay (Invitrogen by Life Technologies). FRAP1/mTOR (PV4753) a...


US Patent US8987257 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F2B
More data for this
Ligand-Target Pair