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 = 'BDBM50262097'   

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))	BDBM50262097 (1-((5-acetoxy-11-hydroxy-4-(methoxymethyl)-4a,6a-d...) Show SMILES COC[C@H]1OC(=O)C(=CN2CCCC2C(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:23| Show InChI InChI=1S/C28H33NO10/c1-13(30)38-17-10-27(2)15(7-8-18(27)31)20-22(17)28(3)19(12-37-4)39-26(36)14(21(28)24(33)23(20)32)11-29-9-5-6-16(29)25(34)35/h11,15-17,19,21H,5-10,12H2,1-4H3,(H,34,35)/t15-,16?,17+,19+,21?,27-,28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	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))	BDBM50262097 (1-((5-acetoxy-11-hydroxy-4-(methoxymethyl)-4a,6a-d...) Show SMILES COC[C@H]1OC(=O)C(=CN2CCCC2C(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:23| Show InChI InChI=1S/C28H33NO10/c1-13(30)38-17-10-27(2)15(7-8-18(27)31)20-22(17)28(3)19(12-37-4)39-26(36)14(21(28)24(33)23(20)32)11-29-9-5-6-16(29)25(34)35/h11,15-17,19,21H,5-10,12H2,1-4H3,(H,34,35)/t15-,16?,17+,19+,21?,27-,28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	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))	BDBM50262097 (1-((5-acetoxy-11-hydroxy-4-(methoxymethyl)-4a,6a-d...) Show SMILES COC[C@H]1OC(=O)C(=CN2CCCC2C(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:23| Show InChI InChI=1S/C28H33NO10/c1-13(30)38-17-10-27(2)15(7-8-18(27)31)20-22(17)28(3)19(12-37-4)39-26(36)14(21(28)24(33)23(20)32)11-29-9-5-6-16(29)25(34)35/h11,15-17,19,21H,5-10,12H2,1-4H3,(H,34,35)/t15-,16?,17+,19+,21?,27-,28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	105	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