Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform' and Ligand = 'BDBM50537728'   

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 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50537728 (CHEMBL4646601 | US11230547, Compound 2-4) Show SMILES [H][C@]12CN(c3nc(ncc3C#N)-c3cnn(C)c3)[C@]([H])(CN1C(=O)NCC)C2 |r| Show InChI InChI=1S/C17H20N8O/c1-3-19-17(26)25-10-13-4-14(25)9-24(13)16-11(5-18)6-20-15(22-16)12-7-21-23(2)8-12/h6-8,13-14H,3-4,9-10H2,1-2H3,(H,19,26)/t13-,14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal GST-tagged p110delta/untagged full-length p85alpha expressed in baculovirus infected Sf21 cell...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126715 BindingDB Entry DOI: 10.7270/Q2HM5CZG
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