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 = 'BDBM50433043'   

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 (Mus musculus (Mouse))	BDBM50433043 (CHEMBL2375961 | US8633204, 307) Show SMILES COc1ncc(cn1)-c1cc2c(C)nc(N)nc2n([C@@H]2CC[C@@H](CC2)OCC(N)=O)c1=O |r,wD:19.20,22.27,(40.28,-30.68,;38.94,-29.91,;37.61,-30.68,;37.6,-32.22,;36.27,-32.99,;34.94,-32.21,;34.94,-30.68,;36.27,-29.91,;33.6,-32.97,;32.25,-32.19,;30.91,-32.97,;29.58,-32.2,;29.57,-30.66,;28.25,-32.97,;28.25,-34.52,;26.91,-35.28,;29.58,-35.29,;30.91,-34.52,;32.25,-35.3,;32.24,-36.83,;33.57,-37.6,;33.56,-39.15,;32.22,-39.91,;30.89,-39.13,;30.9,-37.6,;32.21,-41.45,;30.87,-42.21,;29.55,-41.43,;28.21,-42.19,;29.56,-39.89,;33.6,-34.52,;34.93,-35.3,)| Show InChI InChI=1S/C21H25N7O4/c1-11-15-7-16(12-8-24-21(31-2)25-9-12)19(30)28(18(15)27-20(23)26-11)13-3-5-14(6-4-13)32-10-17(22)29/h7-9,13-14H,3-6,10H2,1-2H3,(H2,22,29)(H2,23,26,27)/t13-,14+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mouse PI3Kalpha				Bioorg Med Chem Lett 23: 2787-92 (2013) Article DOI: 10.1016/j.bmcl.2013.02.020 BindingDB Entry DOI: 10.7270/Q2NZ890X
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50433043 (CHEMBL2375961 | US8633204, 307) Show SMILES COc1ncc(cn1)-c1cc2c(C)nc(N)nc2n([C@@H]2CC[C@@H](CC2)OCC(N)=O)c1=O |r,wD:19.20,22.27,(40.28,-30.68,;38.94,-29.91,;37.61,-30.68,;37.6,-32.22,;36.27,-32.99,;34.94,-32.21,;34.94,-30.68,;36.27,-29.91,;33.6,-32.97,;32.25,-32.19,;30.91,-32.97,;29.58,-32.2,;29.57,-30.66,;28.25,-32.97,;28.25,-34.52,;26.91,-35.28,;29.58,-35.29,;30.91,-34.52,;32.25,-35.3,;32.24,-36.83,;33.57,-37.6,;33.56,-39.15,;32.22,-39.91,;30.89,-39.13,;30.9,-37.6,;32.21,-41.45,;30.87,-42.21,;29.55,-41.43,;28.21,-42.19,;29.56,-39.89,;33.6,-34.52,;34.93,-35.3,)| Show InChI InChI=1S/C21H25N7O4/c1-11-15-7-16(12-8-24-21(31-2)25-9-12)19(30)28(18(15)27-20(23)26-11)13-3-5-14(6-4-13)32-10-17(22)29/h7-9,13-14H,3-6,10H2,1-2H3,(H2,22,29)(H2,23,26,27)/t13-,14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.62	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Compounds of the present invention were evaluated for potency against PI3-Kα using an in vitro kinase assay. PI3-Kα activity is measured in...				US Patent US8633204 (2014) BindingDB Entry DOI: 10.7270/Q2Q81BQT
					More data for this Ligand-Target Pair