BDBM50259756 CHEMBL4083244

SMILES: CC(COC(F)F)N1CCN(CC#Cc2cccc3nc([C@@H]4CCCN4c4ncnc(N)c4C#N)n(-c4ccccc4)c(=O)c23)CC1

InChI Key: InChIKey=CWZZQTPCCOTSOP-WOKNPCPGSA-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 = 50259756   

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))	BDBM50259756 (CHEMBL4083244) Show SMILES CC(COC(F)F)N1CCN(CC#Cc2cccc3nc([C@@H]4CCCN4c4ncnc(N)c4C#N)n(-c4ccccc4)c(=O)c23)CC1 |r| Show InChI InChI=1S/C34H35F2N9O2/c1-23(21-47-34(35)36)43-18-16-42(17-19-43)14-6-9-24-8-5-12-27-29(24)33(46)45(25-10-3-2-4-11-25)32(41-27)28-13-7-15-44(28)31-26(20-37)30(38)39-22-40-31/h2-5,8,10-12,22-23,28,34H,7,13-19,21H2,1H3,(H2,38,39,40)/t23?,28-/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	188	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