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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50394167   
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 SMG1


(Homo sapiens (Human))
BDBM50394167
PNG
(CHEMBL2158842)
Show SMILES NS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cccc(c2)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C22H23N5O3S/c23-31(29,30)19-9-7-18(8-10-19)25-22-24-12-11-20(26-22)16-5-4-6-17(15-16)21(28)27-13-2-1-3-14-27/h4-12,15H,1-3,13-14H2,(H2,23,29,30)(H,24,25,26)
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CHEMBL
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PC cid
PC sid
PDB
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Article
PubMed
n/an/a 450n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay


Bioorg Med Chem Lett 22: 6636-41 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.107
BindingDB Entry DOI: 10.7270/Q2TB181N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50394167
PNG
(CHEMBL2158842)
Show SMILES NS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cccc(c2)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C22H23N5O3S/c23-31(29,30)19-9-7-18(8-10-19)25-22-24-12-11-20(26-22)16-5-4-6-17(15-16)21(28)27-13-2-1-3-14-27/h4-12,15H,1-3,13-14H2,(H2,23,29,30)(H,24,25,26)
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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 890n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 22: 6636-41 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.107
BindingDB Entry DOI: 10.7270/Q2TB181N
More data for this
Ligand-Target Pair