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 = 'BDBM50527622'   

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))	BDBM50527622 (CHEMBL4550648) Show SMILES CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCCCC(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C28H31N9O3/c1-2-20(32-25-19(16-29)24(30)34-28(31)35-25)26-33-21-14-9-11-17(10-5-3-8-15-22(38)36-40)23(21)27(39)37(26)18-12-6-4-7-13-18/h4,6-7,9,11-14,20,40H,2-3,5,8,10,15H2,1H3,(H,36,38)(H5,30,31,32,34,35)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human PI3Kdelta assessed as reduction in PIP3 product complex formation by measuring displacement of biotin-labelled PIP3 from complex ...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193 BindingDB Entry DOI: 10.7270/Q2KS6W0V
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