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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 = 'BDBM50328585'   
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


(Mus musculus (Mouse))
BDBM50328585
PNG
(1-(4-(4-([3,6'-Biquinolin]-4'-ylamino)-2-(trifluor...)
Show SMILES OC(=O)N1CCN(CC1)c1ccc(Nc2ccnc3ccc(cc23)-c2cnc3ccccc3c2)cc1C(F)(F)F
Show InChI InChI=1S/C30H24F3N5O2/c31-30(32,33)24-17-22(6-8-28(24)37-11-13-38(14-12-37)29(39)40)36-27-9-10-34-26-7-5-19(16-23(26)27)21-15-20-3-1-2-4-25(20)35-18-21/h1-10,15-18H,11-14H2,(H,34,36)(H,39,40)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50328585
PNG
(1-(4-(4-([3,6'-Biquinolin]-4'-ylamino)-2-(trifluor...)
Show SMILES OC(=O)N1CCN(CC1)c1ccc(Nc2ccnc3ccc(cc23)-c2cnc3ccccc3c2)cc1C(F)(F)F
Show InChI InChI=1S/C30H24F3N5O2/c31-30(32,33)24-17-22(6-8-28(24)37-11-13-38(14-12-37)29(39)40)36-27-9-10-34-26-7-5-19(16-23(26)27)21-15-20-3-1-2-4-25(20)35-18-21/h1-10,15-18H,11-14H2,(H,34,36)(H,39,40)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.70E+3n/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