Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform' and Ligand = 'BDBM50262139'   

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))	BDBM50262139 (2-acetamido-6-((5-acetoxy-11-hydroxy-4-(methoxymet...) Show SMILES COC[C@H]1OC(=O)C(=CNCCCCC(NC(C)=O)C(O)=O)C2C(=O)C(=O)C3=C([C@@H](C[C@@]4(C)[C@H]3CCC4=O)OC(C)=O)[C@@]12C |r,w:8.8,t:27| Show InChI InChI=1S/C31H40N2O11/c1-15(34)33-19(28(39)40)8-6-7-11-32-13-17-24-27(38)26(37)23-18-9-10-21(36)30(18,3)12-20(43-16(2)35)25(23)31(24,4)22(14-42-5)44-29(17)41/h13,18-20,22,24,32H,6-12,14H2,1-5H3,(H,33,34)(H,39,40)/t18-,19?,20+,22+,24?,30-,31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital					Assay Description Inhibition of PI3 kinase by WmC20 derivatives causing a formation of covalent bond between WmC20 derivatives and the target protein.				Chem Biol 14: 321-8 (2007) Article DOI: 10.1016/j.chembiol.2007.02.007 BindingDB Entry DOI: 10.7270/Q21J986V
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50262139 (2-acetamido-6-((5-acetoxy-11-hydroxy-4-(methoxymet...) Show SMILES COC[C@H]1OC(=O)C(=CNCCCCC(NC(C)=O)C(O)=O)C2C(=O)C(=O)C3=C([C@@H](C[C@@]4(C)[C@H]3CCC4=O)OC(C)=O)[C@@]12C |r,w:8.8,t:27| Show InChI InChI=1S/C31H40N2O11/c1-15(34)33-19(28(39)40)8-6-7-11-32-13-17-24-27(38)26(37)23-18-9-10-21(36)30(18,3)12-20(43-16(2)35)25(23)31(24,4)22(14-42-5)44-29(17)41/h13,18-20,22,24,32H,6-12,14H2,1-5H3,(H,33,34)(H,39,40)/t18-,19?,20+,22+,24?,30-,31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of PI3 kinase				Bioorg Med Chem Lett 19: 4223-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.105 BindingDB Entry DOI: 10.7270/Q2QZ2B0P
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50262139 (2-acetamido-6-((5-acetoxy-11-hydroxy-4-(methoxymet...) Show SMILES COC[C@H]1OC(=O)C(=CNCCCCC(NC(C)=O)C(O)=O)C2C(=O)C(=O)C3=C([C@@H](C[C@@]4(C)[C@H]3CCC4=O)OC(C)=O)[C@@]12C |r,w:8.8,t:27| Show InChI InChI=1S/C31H40N2O11/c1-15(34)33-19(28(39)40)8-6-7-11-32-13-17-24-27(38)26(37)23-18-9-10-21(36)30(18,3)12-20(43-16(2)35)25(23)31(24,4)22(14-42-5)44-29(17)41/h13,18-20,22,24,32H,6-12,14H2,1-5H3,(H,33,34)(H,39,40)/t18-,19?,20+,22+,24?,30-,31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of PI3K (unknown origin) by fluorescence energy transfer assay				J Med Chem 51: 4699-707 (2008) Article DOI: 10.1021/jm800374f BindingDB Entry DOI: 10.7270/Q22B8XV3
					More data for this Ligand-Target Pair