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BDBM50328589 9-(4-methoxyphenyl)-1-(4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl)benzo[h][1,6]naphthyridin-2(1H)-one::CHEMBL1259013

SMILES: COc1ccc(cc1)-c1ccc2ncc3ccc(=O)n(-c4ccc(N5CCNCC5)c(c4)C(F)(F)F)c3c2c1

InChI Key: InChIKey=GSNKTFWNKCQVKN-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 = 50328589   
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))
BDBM50328589
PNG
(9-(4-methoxyphenyl)-1-(4-(piperazin-1-yl)-3-(trifl...)
Show SMILES COc1ccc(cc1)-c1ccc2ncc3ccc(=O)n(-c4ccc(N5CCNCC5)c(c4)C(F)(F)F)c3c2c1
Show InChI InChI=1S/C30H25F3N4O2/c1-39-23-7-2-19(3-8-23)20-4-9-26-24(16-20)29-21(18-35-26)5-11-28(38)37(29)22-6-10-27(25(17-22)30(31,32)33)36-14-12-34-13-15-36/h2-11,16-18,34H,12-15H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/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))
BDBM50328589
PNG
(9-(4-methoxyphenyl)-1-(4-(piperazin-1-yl)-3-(trifl...)
Show SMILES COc1ccc(cc1)-c1ccc2ncc3ccc(=O)n(-c4ccc(N5CCNCC5)c(c4)C(F)(F)F)c3c2c1
Show InChI InChI=1S/C30H25F3N4O2/c1-39-23-7-2-19(3-8-23)20-4-9-26-24(16-20)29-21(18-35-26)5-11-28(38)37(29)22-6-10-27(25(17-22)30(31,32)33)36-14-12-34-13-15-36/h2-11,16-18,34H,12-15H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 79n/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