BDBM50232446 CHEMBL4098095

SMILES: Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)N1CCNCC1

InChI Key: InChIKey=HBUYJTDBTJQRPS-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 = 50232446   

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 delta isoform (Homo sapiens (Human))	BDBM50232446 (CHEMBL4098095) Show SMILES Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)N1CCNCC1 Show InChI InChI=1S/C24H28N8O/c25-24-23-20(21-4-7-28-31(21)18-5-12-33-13-6-18)15-22(32(23)29-16-27-24)17-2-1-3-19(14-17)30-10-8-26-9-11-30/h1-4,7,14-16,18,26H,5-6,8-13H2,(H2,25,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay				Bioorg Med Chem Lett 27: 855-861 (2017) BindingDB Entry DOI: 10.7270/Q2BR8VFH
					More data for this Ligand-Target Pair