BDBM50259739 CHEMBL4092557

SMILES: Nc1ncnc(N2CCC[C@H]2c2nc3cccc(C#CCCCC(=O)N4CCCC4)c3c(=O)n2-c2ccccc2)c1C#N

InChI Key: InChIKey=MMXTWVANHYFOON-MHZLTWQESA-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 = 50259739   

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))	BDBM50259739 (CHEMBL4092557) Show SMILES Nc1ncnc(N2CCC[C@H]2c2nc3cccc(C#CCCCC(=O)N4CCCC4)c3c(=O)n2-c2ccccc2)c1C#N |r| Show InChI InChI=1S/C33H32N8O2/c34-21-25-30(35)36-22-37-31(25)40-20-10-16-27(40)32-38-26-15-9-12-23(11-3-1-6-17-28(42)39-18-7-8-19-39)29(26)33(43)41(32)24-13-4-2-5-14-24/h2,4-5,9,12-15,22,27H,1,6-8,10,16-20H2,(H2,35,36,37)/t27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair