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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase mTOR' and Ligand = 'BDBM50328611'   
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))
BDBM50328611
PNG
(4-methyl-1-(4-(4-propionylpiperazin-1-yl)-3-(trifl...)
Show SMILES CCC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)-n1c2c(cnc3ccc(cc23)-c2cnc3ccccc3c2)c(C)cc1=O
Show InChI InChI=1S/C36H30F3N5O2/c1-3-33(45)43-14-12-42(13-15-43)32-11-9-26(19-29(32)36(37,38)39)44-34(46)16-22(2)28-21-41-31-10-8-23(18-27(31)35(28)44)25-17-24-6-4-5-7-30(24)40-20-25/h4-11,16-21H,3,12-15H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 52n/an/an/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of human mTOR complex 1 after 30 mins by FRET assay


J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))
BDBM50328611
PNG
(4-methyl-1-(4-(4-propionylpiperazin-1-yl)-3-(trifl...)
Show SMILES CCC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)-n1c2c(cnc3ccc(cc23)-c2cnc3ccccc3c2)c(C)cc1=O
Show InChI InChI=1S/C36H30F3N5O2/c1-3-33(45)43-14-12-42(13-15-43)32-11-9-26(19-29(32)36(37,38)39)44-34(46)16-22(2)28-21-41-31-10-8-23(18-27(31)35(28)44)25-17-24-6-4-5-7-30(24)40-20-25/h4-11,16-21H,3,12-15H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>300n/an/an/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting


J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair