BDBM50328586 1-(4-(4-([3,6'-biquinolin]-4'-ylamino)-2-(trifluoromethyl)phenyl)piperazin-1-yl)-3-methoxypropan-1-one::CHEMBL1256447

SMILES: COCCC(=O)N1CCN(CC1)c1ccc(Nc2ccnc3ccc(cc23)-c2cnc3ccccc3c2)cc1C(F)(F)F

InChI Key: InChIKey=VHLFKLWNRISGKS-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50328586   

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 (Homo sapiens (Human))	BDBM50328586 (1-(4-(4-([3,6'-biquinolin]-4'-ylamino)-2-(trifluor...) Show SMILES COCCC(=O)N1CCN(CC1)c1ccc(Nc2ccnc3ccc(cc23)-c2cnc3ccccc3c2)cc1C(F)(F)F Show InChI InChI=1S/C33H30F3N5O2/c1-43-17-11-32(42)41-15-13-40(14-16-41)31-9-7-25(20-27(31)33(34,35)36)39-30-10-12-37-29-8-6-22(19-26(29)30)24-18-23-4-2-3-5-28(23)38-21-24/h2-10,12,18-21H,11,13-17H2,1H3,(H,37,39)	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/a	n/a	966	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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50328586 (1-(4-(4-([3,6'-biquinolin]-4'-ylamino)-2-(trifluor...) Show SMILES COCCC(=O)N1CCN(CC1)c1ccc(Nc2ccnc3ccc(cc23)-c2cnc3ccccc3c2)cc1C(F)(F)F Show InChI InChI=1S/C33H30F3N5O2/c1-43-17-11-32(42)41-15-13-40(14-16-41)31-9-7-25(20-27(31)33(34,35)36)39-30-10-12-37-29-8-6-22(19-26(29)30)24-18-23-4-2-3-5-28(23)38-21-24/h2-10,12,18-21H,11,13-17H2,1H3,(H,37,39)	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/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 PI3Kalpha in human PC3 cells expressing Akt1 S473D mutant assessed as phosphorylation of Akt Thr308 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 (mTOR) (Mus musculus (Mouse))	BDBM50328586 (1-(4-(4-([3,6'-biquinolin]-4'-ylamino)-2-(trifluor...) Show SMILES COCCC(=O)N1CCN(CC1)c1ccc(Nc2ccnc3ccc(cc23)-c2cnc3ccccc3c2)cc1C(F)(F)F Show InChI InChI=1S/C33H30F3N5O2/c1-43-17-11-32(42)41-15-13-40(14-16-41)31-9-7-25(20-27(31)33(34,35)36)39-30-10-12-37-29-8-6-22(19-26(29)30)24-18-23-4-2-3-5-28(23)38-21-24/h2-10,12,18-21H,11,13-17H2,1H3,(H,37,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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