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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 = 'BDBM116143'   
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))
BDBM116143
PNG
(US8633183, E-297)
Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(Cc4cc(C)no4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C29H27F2N7O2/c1-3-25-22(6-4-19-5-7-26(32)33-15-19)28(35-17-34-25)20-13-23(30)27(24(31)14-20)29(39)38-10-8-37(9-11-38)16-21-12-18(2)36-40-21/h5,7,12-15,17H,3,8-11,16H2,1-2H3,(H2,32,33)
PDB
MMDB

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PC cid
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Similars

US Patent
n/an/a 0.210n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair