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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 = 'BDBM50089317'   
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))
BDBM50089317
PNG
(CHEMBL3577912)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cnc2ncnc(-c3ccncc3)c2c1
Show InChI InChI=1S/C24H16F2N6O3S/c1-35-24-20(32-36(33,34)21-3-2-17(25)10-19(21)26)9-16(12-29-24)15-8-18-22(14-4-6-27-7-5-14)30-13-31-23(18)28-11-15/h2-13,32H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 62n/an/an/an/an/an/a



PKUCare Pharmaceutical R&D Center

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) using GFP-4E-BP1 as substrate after 1 hr by TR-FRET assay


ACS Med Chem Lett 6: 434-8 (2015)


Article DOI: 10.1021/ml5005014
BindingDB Entry DOI: 10.7270/Q29Z96M1
More data for this
Ligand-Target Pair