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 = 'BDBM341245'   

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))	BDBM341245 ((S)-2,4-diamino-6-(2-(3-(3-fluorophenyl)-5-(methyl...) Show SMILES CS(=O)(=O)c1cccc2nc([C@@H]3CCCN3c3nc(N)nc(N)c3C#N)n(-c3cccc(F)c3)c(=O)c12 Show InChI InChI=1S/C24H21FN8O3S/c1-37(35,36)18-9-3-7-16-19(18)23(34)33(14-6-2-5-13(25)11-14)22(29-16)17-8-4-10-32(17)21-15(12-26)20(27)30-24(28)31-21/h2-3,5-7,9,11,17H,4,8,10H2,1H3,(H4,27,28,30,31)/t17-/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	2	n/a	n/a	n/a	n/a	n/a	n/a
GILEAD SCIENCES, INC. US Patent					Assay Description TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...				US Patent US9765060 (2017) BindingDB Entry DOI: 10.7270/Q2DZ0BDH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM341245 ((S)-2,4-diamino-6-(2-(3-(3-fluorophenyl)-5-(methyl...) Show SMILES CS(=O)(=O)c1cccc2nc([C@@H]3CCCN3c3nc(N)nc(N)c3C#N)n(-c3cccc(F)c3)c(=O)c12 Show InChI InChI=1S/C24H21FN8O3S/c1-37(35,36)18-9-3-7-16-19(18)23(34)33(14-6-2-5-13(25)11-14)22(29-16)17-8-4-10-32(17)21-15(12-26)20(27)30-24(28)31-21/h2-3,5-7,9,11,17H,4,8,10H2,1H3,(H4,27,28,30,31)/t17-/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	n/a	n/a
GILEAD SCIENCES, INC. US Patent					Assay Description TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...				US Patent US9765060 (2017) BindingDB Entry DOI: 10.7270/Q2DZ0BDH
					More data for this Ligand-Target Pair