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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 = 'BDBM50243956'   
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))
BDBM50243956
PNG
(CHEMBL4102252)
Show SMILES Cc1ccc(cn1)-c1cc2c(cc1F)ncc1ncc(=O)n(C3CCN(CC#N)CC3)c21
Show InChI InChI=1S/C24H21FN6O/c1-15-2-3-16(12-27-15)18-10-19-21(11-20(18)25)28-13-22-24(19)31(23(32)14-29-22)17-4-7-30(8-5-17)9-6-26/h2-3,10-14,17H,4-5,7-9H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 68n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged recombinant human mTOR (1362 to end residues)


J Med Chem 61: 881-904 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01402
BindingDB Entry DOI: 10.7270/Q28K7CHW
More data for this
Ligand-Target Pair