BDBM50119606 CHEMBL3618231

SMILES: COc1ccc(Nc2nc3ccccn3c2-c2nc(C)nc(N)n2)cn1

InChI Key: InChIKey=GMDFBJKMPHZUTJ-UHFFFAOYSA-N

Data: 1 KI  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 3 hits for monomerid = 50119606   

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))	BDBM50119606 (CHEMBL3618231) Show SMILES COc1ccc(Nc2nc3ccccn3c2-c2nc(C)nc(N)n2)cn1 Show InChI InChI=1S/C17H16N8O/c1-10-20-15(24-17(18)21-10)14-16(23-12-5-3-4-8-25(12)14)22-11-6-7-13(26-2)19-9-11/h3-9,22H,1-2H3,(H2,18,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	29	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))	BDBM50119606 (CHEMBL3618231) Show SMILES COc1ccc(Nc2nc3ccccn3c2-c2nc(C)nc(N)n2)cn1 Show InChI InChI=1S/C17H16N8O/c1-10-20-15(24-17(18)21-10)14-16(23-12-5-3-4-8-25(12)14)22-11-6-7-13(26-2)19-9-11/h3-9,22H,1-2H3,(H2,18,20,21,24)	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	40	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))	BDBM50119606 (CHEMBL3618231) Show SMILES COc1ccc(Nc2nc3ccccn3c2-c2nc(C)nc(N)n2)cn1 Show InChI InChI=1S/C17H16N8O/c1-10-20-15(24-17(18)21-10)14-16(23-12-5-3-4-8-25(12)14)22-11-6-7-13(26-2)19-9-11/h3-9,22H,1-2H3,(H2,18,20,21,24)	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	37	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