Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha' and Ligand = 'BDBM50121212'   

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-phosphate 3-kinase C2 domain-containing subunit alpha (Homo sapiens (Human))	BDBM50121212 (CHEMBL3622372) Show SMILES C[C@@H]1COCCN1c1cc(=O)n2CC[C@H](N(Cc3cncc(Cl)c3)c2n1)C(F)(F)F |r| Show InChI InChI=1S/C19H21ClF3N5O2/c1-12-11-30-5-4-26(12)16-7-17(29)27-3-2-15(19(21,22)23)28(18(27)25-16)10-13-6-14(20)9-24-8-13/h6-9,12,15H,2-5,10-11H2,1H3/t12-,15+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Curtin University Curated by ChEMBL					Assay Description Inhibition of PI3KC2alpha (unknown origin)				J Med Chem 60: 47-65 (2017) Article DOI: 10.1021/acs.jmedchem.6b00963 BindingDB Entry DOI: 10.7270/Q2PG1TPX
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