Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform' and Ligand = 'BDBM244224'   

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 alpha isoform (Homo sapiens (Human))	BDBM244224 (US9428501, 19) Show SMILES COc1ccc(CN2CCC(CC2)c2ccc3n(C)c(nc3c2)C(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cn1 Show InChI InChI=1S/C33H37F3N6O2/c1-39-29-9-6-26(25-11-13-40(14-12-25)22-24-5-10-30(44-2)37-20-24)19-28(29)38-31(39)32(43)42-17-15-41(16-18-42)21-23-3-7-27(8-4-23)33(34,35)36/h3-10,19-20,25H,11-18,21-22H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description In order to make human PIK3 CA mutation-positive breast cancer cell line MDA-MB-453 cells become 500 cells per well in a 384 well non-adhesive plate ...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
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