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SMILES: COc1ncc(Nc2nc3ccccn3c2-c2nc(C)nc(N)n2)cc1F

InChI Key: InChIKey=JYIYDFDRQAREDE-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50119609   

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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50119609 (CHEMBL3618233) Show SMILES COc1ncc(Nc2nc3ccccn3c2-c2nc(C)nc(N)n2)cc1F Show InChI InChI=1S/C17H15FN8O/c1-9-21-14(25-17(19)22-9)13-15(24-12-5-3-4-6-26(12)13)23-10-7-11(18)16(27-2)20-8-10/h3-8,23H,1-2H3,(H2,19,21,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) by alpha screen assay				Bioorg Med Chem Lett 25: 4136-42 (2015) BindingDB Entry DOI: 10.7270/Q2R49SKC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50119609 (CHEMBL3618233) Show SMILES COc1ncc(Nc2nc3ccccn3c2-c2nc(C)nc(N)n2)cc1F Show InChI InChI=1S/C17H15FN8O/c1-9-21-14(25-17(19)22-9)13-15(24-12-5-3-4-6-26(12)13)23-10-7-11(18)16(27-2)20-8-10/h3-8,23H,1-2H3,(H2,19,21,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha in human U87MG cells assessed as reduction in AKT Ser473 phosphorylation incubated for 2 hrs followed by compound wahout by a...				Bioorg Med Chem Lett 25: 4136-42 (2015) BindingDB Entry DOI: 10.7270/Q2R49SKC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50119609 (CHEMBL3618233) Show SMILES COc1ncc(Nc2nc3ccccn3c2-c2nc(C)nc(N)n2)cc1F Show InChI InChI=1S/C17H15FN8O/c1-9-21-14(25-17(19)22-9)13-15(24-12-5-3-4-6-26(12)13)23-10-7-11(18)16(27-2)20-8-10/h3-8,23H,1-2H3,(H2,19,21,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	198	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of GST-tagged mTOR (1360 to 2549 residues) (unknown origin) using Ulight 4eBP1 peptide incubated for 90 mins by HTRF assay				Bioorg Med Chem Lett 25: 4136-42 (2015) BindingDB Entry DOI: 10.7270/Q2R49SKC
					More data for this Ligand-Target Pair