Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform' and Ligand = 'BDBM346188'   

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 beta isoform (Homo sapiens (Human))	BDBM346188 (WO2007/084786, Compound 324) Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2CCC(=O)CC2)c(n1)C(F)(F)F Show InChI InChI=1S/C18H20F3N7O2/c19-18(20,21)15-12(10-23-16(22)26-15)13-9-14(27-3-1-11(29)2-4-27)25-17(24-13)28-5-7-30-8-6-28/h9-10H,1-8H2,(H2,22,23,26)	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	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10202371 (2019) BindingDB Entry DOI: 10.7270/Q2KD2123
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Rattus norvegicus (Rat))	BDBM346188 (WO2007/084786, Compound 324) Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2CCC(=O)CC2)c(n1)C(F)(F)F Show InChI InChI=1S/C18H20F3N7O2/c19-18(20,21)15-12(10-23-16(22)26-15)13-9-14(27-3-1-11(29)2-4-27)25-17(24-13)28-5-7-30-8-6-28/h9-10H,1-8H2,(H2,22,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay, ALPHA, Perkin Elmer) is a non-radioactive bead-based proximity assay technology to st...				US Patent US10202371 (2019) BindingDB Entry DOI: 10.7270/Q2KD2123
					More data for this Ligand-Target Pair