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 = 'BDBM315561'   

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))	BDBM315561 (US10172858, Table 2.58 | US9828378, # 58) Show SMILES CN1CCN(CC1)C1CCC(CC1)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12 |w:7.7,(.56,-10.64,;.56,-9.1,;-.77,-8.33,;-.77,-6.79,;.56,-6.02,;1.9,-6.79,;1.9,-8.33,;.56,-4.48,;-.77,-3.71,;-.77,-2.17,;.56,-1.4,;1.9,-2.17,;1.9,-3.71,;.56,.14,;1.47,1.39,;.56,2.63,;.96,4.12,;.06,5.37,;.96,6.61,;.64,8.12,;1.79,9.15,;1.39,10.64,;3.25,8.67,;3.57,7.17,;2.43,6.14,;2.43,4.6,;-.9,2.16,;-2.24,2.93,;-2.24,4.47,;-3.57,2.16,;-3.57,.62,;-2.24,-.15,;-.9,.62,)| Show InChI InChI=1S/C24H30N8O/c1-30-8-10-31(11-9-30)16-2-4-17(5-3-16)32-24-21(23(25)26-14-27-24)22(29-32)20-13-15-12-18(33)6-7-19(15)28-20/h6-7,12-14,16-17,28,33H,2-5,8-11H2,1H3,(H2,25,26,27)	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