Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform' and Ligand = 'BDBM198095'   

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 delta isoform (Homo sapiens (Human))	BDBM198095 (BDBM198096 | US9221795, 91) Show SMILES CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cnc(N)cc1C |r,wD:2.2,(3.33,.38,;2,1.15,;.67,.38,;.67,-1.16,;2,-1.93,;3.33,-1.16,;4.67,-1.93,;6,-1.15,;4.67,-3.47,;3.33,-4.23,;3.33,-5.78,;2,-3.47,;.67,-4.24,;-.67,-5.01,;-.67,1.15,;-2,.38,;-3.33,1.15,;-4.67,.38,;-6,1.15,;-6,2.69,;-4.67,3.46,;-4.67,5,;-3.33,2.69,;-2,3.46,;-2,5,;-.67,2.69,;.67,3.46,;2,2.69,;3.33,3.46,;3.33,5,;4.67,5.77,;2,5.78,;.67,5,;-.67,5.77,)| Show InChI InChI=1S/C22H21ClN10O/c1-3-13(29-19-11(8-24)18(26)31-22(27)32-19)20-30-14-6-4-5-12(23)17(14)21(34)33(20)15-9-28-16(25)7-10(15)2/h4-7,9,13H,3H2,1-2H3,(H2,25,28)(H5,26,27,29,31,32)/t13-/m0/s1	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	0.800	n/a	n/a	n/a	n/a	7.4	n/a
Gilead Sciences, Inc. US Patent					Assay Description Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were pu...				US Patent US9221795 (2015) BindingDB Entry DOI: 10.7270/Q29C6W8T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM198095 (BDBM198096 | US9221795, 91) Show SMILES CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cnc(N)cc1C |r,wD:2.2,(3.33,.38,;2,1.15,;.67,.38,;.67,-1.16,;2,-1.93,;3.33,-1.16,;4.67,-1.93,;6,-1.15,;4.67,-3.47,;3.33,-4.23,;3.33,-5.78,;2,-3.47,;.67,-4.24,;-.67,-5.01,;-.67,1.15,;-2,.38,;-3.33,1.15,;-4.67,.38,;-6,1.15,;-6,2.69,;-4.67,3.46,;-4.67,5,;-3.33,2.69,;-2,3.46,;-2,5,;-.67,2.69,;.67,3.46,;2,2.69,;3.33,3.46,;3.33,5,;4.67,5.77,;2,5.78,;.67,5,;-.67,5.77,)| Show InChI InChI=1S/C22H21ClN10O/c1-3-13(29-19-11(8-24)18(26)31-22(27)32-19)20-30-14-6-4-5-12(23)17(14)21(34)33(20)15-9-28-16(25)7-10(15)2/h4-7,9,13H,3H2,1-2H3,(H2,25,28)(H5,26,27,29,31,32)/t13-/m0/s1	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	4	n/a	n/a	n/a	n/a	7.4	n/a
Gilead Sciences, Inc. US Patent					Assay Description Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were pu...				US Patent US9221795 (2015) BindingDB Entry DOI: 10.7270/Q29C6W8T
					More data for this Ligand-Target Pair