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SMILES: CNC(=O)c1ccc2-c3nc(sc3CCOc2c1)-c1ncnn1C(C)C

InChI Key: InChIKey=HBPSIRFHEWZMLF-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50433557   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50433557 (CHEMBL2381252) Show SMILES CNC(=O)c1ccc2-c3nc(sc3CCOc2c1)-c1ncnn1C(C)C Show InChI InChI=1S/C18H19N5O2S/c1-10(2)23-16(20-9-21-23)18-22-15-12-5-4-11(17(24)19-3)8-13(12)25-7-6-14(15)26-18/h4-5,8-10H,6-7H2,1-3H3,(H,19,24)	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	194	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha in human PC3 cells assessed as inhibition of AKT phosphorylation at Ser473 after 2 hrs by ELISA				Bioorg Med Chem Lett 23: 2606-13 (2013) Article DOI: 10.1016/j.bmcl.2013.02.102 BindingDB Entry DOI: 10.7270/Q2W95BKF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50433557 (CHEMBL2381252) Show SMILES CNC(=O)c1ccc2-c3nc(sc3CCOc2c1)-c1ncnn1C(C)C Show InChI InChI=1S/C18H19N5O2S/c1-10(2)23-16(20-9-21-23)18-22-15-12-5-4-11(17(24)19-3)8-13(12)25-7-6-14(15)26-18/h4-5,8-10H,6-7H2,1-3H3,(H,19,24)	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	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant PI3Kalpha expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presen...				Bioorg Med Chem Lett 23: 2606-13 (2013) Article DOI: 10.1016/j.bmcl.2013.02.102 BindingDB Entry DOI: 10.7270/Q2W95BKF
					More data for this Ligand-Target Pair