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BDBM50328599 1-(4-morpholino-3-(trifluoromethyl)phenyl)-9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2(1H)-one::CHEMBL1256455

SMILES: FC(F)(F)c1cc(ccc1N1CCOCC1)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1

InChI Key: InChIKey=NOBCQYOXRJUPLB-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50328599   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase mTOR (mTOR)


(Mus musculus (Mouse))
BDBM50328599
PNG
(1-(4-morpholino-3-(trifluoromethyl)phenyl)-9-(quin...)
Show SMILES FC(F)(F)c1cc(ccc1N1CCOCC1)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
Show InChI InChI=1S/C32H23F3N4O2/c33-32(34,35)26-17-24(7-9-29(26)38-11-13-41-14-12-38)39-30(40)10-6-22-18-37-28-8-5-20(16-25(28)31(22)39)23-15-21-3-1-2-4-27(21)36-19-23/h1-10,15-19H,11-14H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 35n/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
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50328599
PNG
(1-(4-morpholino-3-(trifluoromethyl)phenyl)-9-(quin...)
Show SMILES FC(F)(F)c1cc(ccc1N1CCOCC1)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
Show InChI InChI=1S/C32H23F3N4O2/c33-32(34,35)26-17-24(7-9-29(26)38-11-13-41-14-12-38)39-30(40)10-6-22-18-37-28-8-5-20(16-25(28)31(22)39)23-15-21-3-1-2-4-27(21)36-19-23/h1-10,15-19H,11-14H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 26n/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