BDBM50426807 CHEMBL2322779

SMILES: NC(=O)c1cnc2-c3sc(cc3CCOc2c1)-c1[nH]nnc1-c1ccc(F)cc1F

InChI Key: InChIKey=DCRLRAYKNYJGRE-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 = 50426807   

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))	BDBM50426807 (CHEMBL2322779) Show SMILES NC(=O)c1cnc2-c3sc(cc3CCOc2c1)-c1[nH]nnc1-c1ccc(F)cc1F Show InChI InChI=1S/C20H13F2N5O2S/c21-11-1-2-12(13(22)7-11)16-18(26-27-25-16)15-6-9-3-4-29-14-5-10(20(23)28)8-24-17(14)19(9)30-15/h1-2,5-8H,3-4H2,(H2,23,28)(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha-mediated AKT Ser 473 phosphorylation in human PC3 cells				Bioorg Med Chem Lett 23: 897-901 (2013) Article DOI: 10.1016/j.bmcl.2012.10.121 BindingDB Entry DOI: 10.7270/Q21C1Z5X
					More data for this Ligand-Target Pair