BDBM50149210 CHEMBL3769994

SMILES: Nc1ccc2c(nc(nc2c1)-c1cnc(N)nc1)N1CCOCC1

InChI Key: InChIKey=HOAHRWMUDCKNPY-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50149210   

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))	BDBM50149210 (CHEMBL3769994) Show SMILES Nc1ccc2c(nc(nc2c1)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C16H17N7O/c17-11-1-2-12-13(7-11)21-14(10-8-19-16(18)20-9-10)22-15(12)23-3-5-24-6-4-23/h1-2,7-9H,3-6,17H2,(H2,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of PI3K alpha (unknown origin) using PIP2 as substrate after 1 hr by kinase-Glo luminescent assay				Eur J Med Chem 108: 644-54 (2016) BindingDB Entry DOI: 10.7270/Q2C53NQ5
					More data for this Ligand-Target Pair