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 = 'BDBM315547'   

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))	BDBM315547 (US10172858, Table 2.42 | US9828378, # 42) Show SMILES Nc1ncnc2n(nc(-c3cc4cc(O)ccc4[nH]3)c12)C1CCOCC1 Show InChI InChI=1S/C18H18N6O2/c19-17-15-16(14-8-10-7-12(25)1-2-13(10)22-14)23-24(18(15)21-9-20-17)11-3-5-26-6-4-11/h1-2,7-9,11,22,25H,3-6H2,(H2,19,20,21)	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	>500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114498 BindingDB Entry DOI: 10.7270/Q2ZG6XB2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM315547 (US10172858, Table 2.42 | US9828378, # 42) Show SMILES Nc1ncnc2n(nc(-c3cc4cc(O)ccc4[nH]3)c12)C1CCOCC1 Show InChI InChI=1S/C18H18N6O2/c19-17-15-16(14-8-10-7-12(25)1-2-13(10)22-14)23-24(18(15)21-9-20-17)11-3-5-26-6-4-11/h1-2,7-9,11,22,25H,3-6H2,(H2,19,20,21)	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	>500	n/a	n/a	n/a	n/a	n/a	n/a
Intellikine LLC US Patent					Assay Description Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or...				US Patent US9828378 (2017) BindingDB Entry DOI: 10.7270/Q2542QWN
					More data for this Ligand-Target Pair