Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform' and Ligand = 'BDBM50489455'   

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))	BDBM50489455 (CHEMBL2322337) Show SMILES Cc1c(Cc2cnn3c(O)cc(nc23)-c2ccncc2)cccc1C(F)(F)F Show InChI InChI=1S/C20H15F3N4O/c1-12-14(3-2-4-16(12)20(21,22)23)9-15-11-25-27-18(28)10-17(26-19(15)27)13-5-7-24-8-6-13/h2-8,10-11,28H,9H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta (unknown origin)				ACS Med Chem Lett 4: 230-4 (2013) Article DOI: 10.1021/ml300330m BindingDB Entry DOI: 10.7270/Q2HD7ZJT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50489455 (CHEMBL2322337) Show SMILES Cc1c(Cc2cnn3c(O)cc(nc23)-c2ccncc2)cccc1C(F)(F)F Show InChI InChI=1S/C20H15F3N4O/c1-12-14(3-2-4-16(12)20(21,22)23)9-15-11-25-27-18(28)10-17(26-19(15)27)13-5-7-24-8-6-13/h2-8,10-11,28H,9H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	<3.16E+4	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta human in PTEN wild type HCC1954 cells assessed as cell growth inhibition				ACS Med Chem Lett 4: 230-4 (2013) Article DOI: 10.1021/ml300330m BindingDB Entry DOI: 10.7270/Q2HD7ZJT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50489455 (CHEMBL2322337) Show SMILES Cc1c(Cc2cnn3c(O)cc(nc23)-c2ccncc2)cccc1C(F)(F)F Show InChI InChI=1S/C20H15F3N4O/c1-12-14(3-2-4-16(12)20(21,22)23)9-15-11-25-27-18(28)10-17(26-19(15)27)13-5-7-24-8-6-13/h2-8,10-11,28H,9H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	<3.16E+4	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta human in PTEN wild type HCC1954 cells assessed as reduction of AKT phosphorylation at Ser 473				ACS Med Chem Lett 4: 230-4 (2013) Article DOI: 10.1021/ml300330m BindingDB Entry DOI: 10.7270/Q2HD7ZJT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50489455 (CHEMBL2322337) Show SMILES Cc1c(Cc2cnn3c(O)cc(nc23)-c2ccncc2)cccc1C(F)(F)F Show InChI InChI=1S/C20H15F3N4O/c1-12-14(3-2-4-16(12)20(21,22)23)9-15-11-25-27-18(28)10-17(26-19(15)27)13-5-7-24-8-6-13/h2-8,10-11,28H,9H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta human in PTEN-null MDA-MB-468 cells assessed as reduction of AKT phosphorylation at Ser 473 in presence of serum				ACS Med Chem Lett 4: 230-4 (2013) Article DOI: 10.1021/ml300330m BindingDB Entry DOI: 10.7270/Q2HD7ZJT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50489455 (CHEMBL2322337) Show SMILES Cc1c(Cc2cnn3c(O)cc(nc23)-c2ccncc2)cccc1C(F)(F)F Show InChI InChI=1S/C20H15F3N4O/c1-12-14(3-2-4-16(12)20(21,22)23)9-15-11-25-27-18(28)10-17(26-19(15)27)13-5-7-24-8-6-13/h2-8,10-11,28H,9H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta human in PTEN-null MDA-MB-468 cells assessed as reduction of AKT phosphorylation at Ser 473 in absence of serum				ACS Med Chem Lett 4: 230-4 (2013) Article DOI: 10.1021/ml300330m BindingDB Entry DOI: 10.7270/Q2HD7ZJT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50489455 (CHEMBL2322337) Show SMILES Cc1c(Cc2cnn3c(O)cc(nc23)-c2ccncc2)cccc1C(F)(F)F Show InChI InChI=1S/C20H15F3N4O/c1-12-14(3-2-4-16(12)20(21,22)23)9-15-11-25-27-18(28)10-17(26-19(15)27)13-5-7-24-8-6-13/h2-8,10-11,28H,9H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta human in PTEN-null MDA-MB-468 cells assessed as cell growth inhibition				ACS Med Chem Lett 4: 230-4 (2013) Article DOI: 10.1021/ml300330m BindingDB Entry DOI: 10.7270/Q2HD7ZJT
					More data for this Ligand-Target Pair