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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 = 'BDBM50059648'   
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))
BDBM50059648
PNG
(CHEMBL3393594)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(nc2n(ncc12)C1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C22H27N7O3/c1-23-22(30)25-16-4-2-15(3-5-16)19-18-14-24-29(17-6-10-31-11-7-17)20(18)27-21(26-19)28-8-12-32-13-9-28/h2-5,14,17H,6-13H2,1H3,(H2,23,25,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 23n/an/an/an/an/an/a



University Hospital Hradec Kralove

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin)


J Med Chem 58: 41-71 (2015)


Article DOI: 10.1021/jm501026z
BindingDB Entry DOI: 10.7270/Q2P84DJ7
More data for this
Ligand-Target Pair