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 = 'BDBM118293'   

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))	BDBM118293 (US8653092, 61) Show SMILES COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)c2C1 |r| Show InChI InChI=1S/C24H28F3N5O4/c1-34-22-19(24(25,26)27)10-16(11-28-22)31-7-3-20-18(13-31)21(30-14-29-20)36-17-2-6-32(12-17)23(33)15-4-8-35-9-5-15/h10-11,14-15,17H,2-9,12-13H2,1H3/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	589	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM118293 (US8653092, 61) Show SMILES COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)c2C1 |r| Show InChI InChI=1S/C24H28F3N5O4/c1-34-22-19(24(25,26)27)10-16(11-28-22)31-7-3-20-18(13-31)21(30-14-29-20)36-17-2-6-32(12-17)23(33)15-4-8-35-9-5-15/h10-11,14-15,17H,2-9,12-13H2,1H3/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant PI3Kalpha (unknown origin) using phosphatidyl inositol/n-Octyl-glucoside as substrate measured after 30 mins by KinaseGlo a...				ACS Med Chem Lett 8: 975-980 (2017) Article DOI: 10.1021/acsmedchemlett.7b00293 BindingDB Entry DOI: 10.7270/Q2SX6GR0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM118293 (US8653092, 61) Show SMILES COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)c2C1 |r| Show InChI InChI=1S/C24H28F3N5O4/c1-34-22-19(24(25,26)27)10-16(11-28-22)31-7-3-20-18(13-31)21(30-14-29-20)36-17-2-6-32(12-17)23(33)15-4-8-35-9-5-15/h10-11,14-15,17H,2-9,12-13H2,1H3/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Negative logarithm of the molar concentration of delta receptor was determined in mouse vas deferens				ACS Med Chem Lett 8: 975-980 (2017) Article DOI: 10.1021/acsmedchemlett.7b00293 BindingDB Entry DOI: 10.7270/Q2SX6GR0
					More data for this Ligand-Target Pair