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 = 'BDBM50332019'   

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))	BDBM50332019 (5-(3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridi...) Show SMILES COc1ccc(cc1OC)-c1c[nH]c2ncc(cc12)-c1cncc(N)c1 Show InChI InChI=1S/C20H18N4O2/c1-25-18-4-3-12(7-19(18)26-2)17-11-24-20-16(17)6-14(9-23-20)13-5-15(21)10-22-8-13/h3-11H,21H2,1-2H3,(H,23,24)	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	460	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				Bioorg Med Chem Lett 20: 7212-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.108 BindingDB Entry DOI: 10.7270/Q2639QQ1
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50332019 (5-(3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridi...) Show SMILES COc1ccc(cc1OC)-c1c[nH]c2ncc(cc12)-c1cncc(N)c1 Show InChI InChI=1S/C20H18N4O2/c1-25-18-4-3-12(7-19(18)26-2)17-11-24-20-16(17)6-14(9-23-20)13-5-15(21)10-22-8-13/h3-11H,21H2,1-2H3,(H,23,24)	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	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin)				J Med Chem 57: 6428-43 (2014) Article DOI: 10.1021/jm500413g BindingDB Entry DOI: 10.7270/Q2QR4ZS4
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50332019 (5-(3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridi...) Show SMILES COc1ccc(cc1OC)-c1c[nH]c2ncc(cc12)-c1cncc(N)c1 Show InChI InChI=1S/C20H18N4O2/c1-25-18-4-3-12(7-19(18)26-2)17-11-24-20-16(17)6-14(9-23-20)13-5-15(21)10-22-8-13/h3-11H,21H2,1-2H3,(H,23,24)	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	n/a	960	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Binding affinity to PI3Kalpha by high throughput assay				J Med Chem 55: 5337-49 (2012) Article DOI: 10.1021/jm3002982 BindingDB Entry DOI: 10.7270/Q2JM2BQ3
					More data for this Ligand-Target Pair