Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform' and Ligand = 'BDBM50436460'   

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))	BDBM50436460 (CHEMBL2397191) Show SMILES Cc1nc(NC(=O)N2CC[C@H]2C(N)=O)sc1-c1ccnc(n1)C(C)(C)C |r| Show InChI InChI=1S/C17H22N6O2S/c1-9-12(10-5-7-19-14(21-10)17(2,3)4)26-15(20-9)22-16(25)23-8-6-11(23)13(18)24/h5,7,11H,6,8H2,1-4H3,(H2,18,24)(H,20,22,25)/t11-/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	19	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of P110alpha (unknown origin) using L-a-phosphatidylinositol as substrate by luminescence assay				Bioorg Med Chem Lett 23: 3741-8 (2013) Article DOI: 10.1016/j.bmcl.2013.05.007 BindingDB Entry DOI: 10.7270/Q2M046VD
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50436460 (CHEMBL2397191) Show SMILES Cc1nc(NC(=O)N2CC[C@H]2C(N)=O)sc1-c1ccnc(n1)C(C)(C)C |r| Show InChI InChI=1S/C17H22N6O2S/c1-9-12(10-5-7-19-14(21-10)17(2,3)4)26-15(20-9)22-16(25)23-8-6-11(23)13(18)24/h5,7,11H,6,8H2,1-4H3,(H2,18,24)(H,20,22,25)/t11-/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	230	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of N-terminal myristoylated P110alpha (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA				Bioorg Med Chem Lett 23: 3741-8 (2013) Article DOI: 10.1016/j.bmcl.2013.05.007 BindingDB Entry DOI: 10.7270/Q2M046VD
					More data for this Ligand-Target Pair