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 = 'BDBM113455'   

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))	BDBM113455 (US8633204, 165) Show SMILES Cc1nc(N)nc2n([C@@H]3CC[C@@H](O)C3)c(=O)c(cc12)-c1cnc2[nH]ccc2c1 |r| Show InChI InChI=1S/C20H20N6O2/c1-10-15-8-16(12-6-11-4-5-22-17(11)23-9-12)19(28)26(13-2-3-14(27)7-13)18(15)25-20(21)24-10/h4-6,8-9,13-14,27H,2-3,7H2,1H3,(H,22,23)(H2,21,24,25)/t13-,14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Compounds of the present invention were evaluated for potency against PI3-Kα using an in vitro kinase assay. PI3-Kα activity is measured in...				US Patent US8633204 (2014) BindingDB Entry DOI: 10.7270/Q2Q81BQT
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