BDBM50328605 1-(4-(4-(2-(4-methylpiperazin-1-yl)acetyl)piperazin-1-yl)-3-(trifluoromethyl)phenyl)-9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2(1H)-one::CHEMBL1256458
SMILES: CN1CCN(CC(=O)N2CCN(CC2)c2ccc(cc2C(F)(F)F)-n2c3c(ccc2=O)cnc2ccc(cc32)-c2cnc3ccccc3c2)CC1
InChI Key: InChIKey=HFMILYGUZWGHPY-UHFFFAOYSA-N
Data: 2 IC50
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Serine/threonine-protein kinase mTOR (mTOR) (Mus musculus (Mouse)) | BDBM50328605 (1-(4-(4-(2-(4-methylpiperazin-1-yl)acetyl)piperazi...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50328605 (1-(4-(4-(2-(4-methylpiperazin-1-yl)acetyl)piperazi...) | 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/a | n/a | 0.570 | n/a | n/a | n/a | n/a | n/a | n/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 |