Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform' and Ligand = 'BDBM50436451'   

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 beta isoform (Homo sapiens (Human))	BDBM50436451 (CHEMBL2397199) Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(n1)C1(C)CC1 |r| Show InChI InChI=1S/C18H22N6O2S/c1-10-13(11-5-8-20-15(22-11)18(2)6-7-18)27-16(21-10)23-17(26)24-9-3-4-12(24)14(19)25/h5,8,12H,3-4,6-7,9H2,1-2H3,(H2,19,25)(H,21,23,26)/t12-/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	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of P110beta (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 beta isoform (Homo sapiens (Human))	BDBM50436451 (CHEMBL2397199) Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(n1)C1(C)CC1 |r| Show InChI InChI=1S/C18H22N6O2S/c1-10-13(11-5-8-20-15(22-11)18(2)6-7-18)27-16(21-10)23-17(26)24-9-3-4-12(24)14(19)25/h5,8,12H,3-4,6-7,9H2,1-2H3,(H2,19,25)(H,21,23,26)/t12-/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	9.60E+3	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 P110beta (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