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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 = 'BDBM50328595'   
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))
BDBM50328595
PNG
(9-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1-(4-(pipe...)
Show SMILES FC(F)(F)c1cc(ccc1N1CCNCC1)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc2OCCOc2c1
Show InChI InChI=1S/C31H25F3N4O3/c32-31(33,34)24-17-22(4-6-26(24)37-11-9-35-10-12-37)38-29(39)8-3-21-18-36-25-5-1-19(15-23(25)30(21)38)20-2-7-27-28(16-20)41-14-13-40-27/h1-8,15-18,35H,9-14H2
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 67n/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))
BDBM50328595
PNG
(9-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1-(4-(pipe...)
Show SMILES FC(F)(F)c1cc(ccc1N1CCNCC1)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc2OCCOc2c1
Show InChI InChI=1S/C31H25F3N4O3/c32-31(33,34)24-17-22(4-6-26(24)37-11-9-35-10-12-37)38-29(39)8-3-21-18-36-25-5-1-19(15-23(25)30(21)38)20-2-7-27-28(16-20)41-14-13-40-27/h1-8,15-18,35H,9-14H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 150n/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