Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform' and Ligand = 'BDBM295676'   

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))	BDBM295676 (US10851091, U.S. Pat. No. 8,242,104 No. 486 | US82...) Show SMILES C[C@H](Oc1ccc2-c3nc(cn3CCOc2c1)-c1ncnn1CC(F)(F)F)C(N)=O |r| Show InChI InChI=1S/C18H17F3N6O3/c1-10(15(22)28)30-11-2-3-12-14(6-11)29-5-4-26-7-13(25-16(12)26)17-23-9-24-27(17)8-18(19,20)21/h2-3,6-7,9-10H,4-5,8H2,1H3,(H2,22,28)/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.186	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The biochemical inhibition of four PI3K isoforms by the Formula I compounds of Table 1. In addition, two clinically tested PI3K compounds, taselisib ...				US Patent US10851091 (2020) BindingDB Entry DOI: 10.7270/Q2WS8X9V
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM295676 (US10851091, U.S. Pat. No. 8,242,104 No. 486 | US82...) Show SMILES C[C@H](Oc1ccc2-c3nc(cn3CCOc2c1)-c1ncnn1CC(F)(F)F)C(N)=O |r| Show InChI InChI=1S/C18H17F3N6O3/c1-10(15(22)28)30-11-2-3-12-14(6-11)29-5-4-26-7-13(25-16(12)26)17-23-9-24-27(17)8-18(19,20)21/h2-3,6-7,9-10H,4-5,8H2,1H3,(H2,22,28)/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.188	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair