BDBM50429868 CHEMBL2333368

SMILES: C1COc2ccc(cc2CN1)-c1cnc2ccccc2c1

InChI Key: InChIKey=KWZGXNKSYPETTH-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 = 50429868   

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))	BDBM50429868 (CHEMBL2333368) Show SMILES C1COc2ccc(cc2CN1)-c1cnc2ccccc2c1 Show InChI InChI=1S/C18H16N2O/c1-2-4-17-14(3-1)10-15(12-20-17)13-5-6-18-16(9-13)11-19-7-8-21-18/h1-6,9-10,12,19H,7-8,11H2	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 2 hrs by luminescence assay				J Med Chem 56: 2218-34 (2013) Article DOI: 10.1021/jm3007933 BindingDB Entry DOI: 10.7270/Q2ZC847X
					More data for this Ligand-Target Pair