Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform' and Ligand = 'BDBM50259760'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50259760 (CHEMBL4084802) Show SMILES Cc1ncnc(N2CC[C@H]2c2nc3cccc(C#CCCCC(=O)N4CCOCC4)c3c(=O)n2-c2ccccc2)c1C#N |r| Show InChI InChI=1S/C33H31N7O3/c1-23-26(21-34)31(36-22-35-23)39-16-15-28(39)32-37-27-13-8-10-24(30(27)33(42)40(32)25-11-5-3-6-12-25)9-4-2-7-14-29(41)38-17-19-43-20-18-38/h3,5-6,8,10-13,22,28H,2,7,14-20H2,1H3/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	620	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
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