BDBM50149042 CHEMBL3769535

SMILES: Nc1cc(c(cn1)-c1nc(N2CCOCC2)c2ccc(Nc3ccncc3)cc2n1)C(F)(F)F

InChI Key: InChIKey=LIEBATUQMRRQGR-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 = 50149042   

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))	BDBM50149042 (CHEMBL3769535) Show SMILES Nc1cc(c(cn1)-c1nc(N2CCOCC2)c2ccc(Nc3ccncc3)cc2n1)C(F)(F)F Show InChI InChI=1S/C23H20F3N7O/c24-23(25,26)18-12-20(27)29-13-17(18)21-31-19-11-15(30-14-3-5-28-6-4-14)1-2-16(19)22(32-21)33-7-9-34-10-8-33/h1-6,11-13H,7-10H2,(H2,27,29)(H,28,30)	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	609	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human recombinant PI3K alpha by scintillation proximity radiometric assay				Eur J Med Chem 108: 644-54 (2016) BindingDB Entry DOI: 10.7270/Q2C53NQ5
					More data for this Ligand-Target Pair