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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 = 'BDBM50529392'   
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))
BDBM50529392
PNG
(CHEMBL4461815)
Show SMILES CCc1nc(N)nc2n(nc(-c3ccc4oc(N)nc4c3)c12)C(C)C
Show InChI InChI=1S/C17H19N7O/c1-4-10-13-14(9-5-6-12-11(7-9)21-17(19)25-12)23-24(8(2)3)15(13)22-16(18)20-10/h5-8H,4H2,1-3H3,(H2,19,21)(H2,18,20,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
50n/an/an/an/an/an/an/an/a



Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus expression system using GFP-4E-BP1 ...


ACS Med Chem Lett 10: 1561-1567 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00401
BindingDB Entry DOI: 10.7270/Q2P272KM
More data for this
Ligand-Target Pair