BDBM50328592 9-(isoquinolin-4-yl)-1-(4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl)benzo[h][1,6]naphthyridin-2(1H)-one::CHEMBL1256451

SMILES: FC(F)(F)c1cc(ccc1N1CCNCC1)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cncc2ccccc12

InChI Key: InChIKey=IUWXWNIXVWRNLI-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 = 50328592   

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))	BDBM50328592 (9-(isoquinolin-4-yl)-1-(4-(piperazin-1-yl)-3-(trif...) Show SMILES FC(F)(F)c1cc(ccc1N1CCNCC1)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cncc2ccccc12 Show InChI InChI=1S/C32H24F3N5O/c33-32(34,35)27-16-23(7-9-29(27)39-13-11-36-12-14-39)40-30(41)10-6-22-18-38-28-8-5-20(15-25(28)31(22)40)26-19-37-17-21-3-1-2-4-24(21)26/h1-10,15-19,36H,11-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>300	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))	BDBM50328592 (9-(isoquinolin-4-yl)-1-(4-(piperazin-1-yl)-3-(trif...) Show SMILES FC(F)(F)c1cc(ccc1N1CCNCC1)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cncc2ccccc12 Show InChI InChI=1S/C32H24F3N5O/c33-32(34,35)27-16-23(7-9-29(27)39-13-11-36-12-14-39)40-30(41)10-6-22-18-38-28-8-5-20(15-25(28)31(22)40)26-19-37-17-21-3-1-2-4-24(21)26/h1-10,15-19,36H,11-14H2	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/a	n/a	33	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