BDBM50360086 CHEMBL1928727

SMILES: CN(C)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O

InChI Key: InChIKey=QWQCUQXWXVIUSL-RGVLZGJSSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50360086   

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))	BDBM50360086 (CHEMBL1928727) Show SMILES CN(C)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O Show InChI InChI=1S/C18H17N7O4S/c1-22(2)16-5-4-15(25(26)27)9-18(16)30(28,29)23(3)20-11-14-12-21-24-7-6-13(10-19)8-17(14)24/h4-9,11-12H,1-3H3/b20-11+	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	2.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of recombinant PI3K p110alpha using L-alpha-phosphotidylinositol as substrate and [gamma33P]ATP after 60 mins by thin layer chromatographi...				Bioorg Med Chem 20: 58-68 (2011) Article DOI: 10.1016/j.bmc.2011.11.031 BindingDB Entry DOI: 10.7270/Q21C1X99
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50360086 (CHEMBL1928727) Show SMILES CN(C)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O Show InChI InChI=1S/C18H17N7O4S/c1-22(2)16-5-4-15(25(26)27)9-18(16)30(28,29)23(3)20-11-14-12-21-24-7-6-13(10-19)8-17(14)24/h4-9,11-12H,1-3H3/b20-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of recombinant PI3K p110delta using L-alpha-phosphotidylinositol as substrate and [gamma33P]ATP after 60 mins by thin layer chromatographi...				Bioorg Med Chem 20: 58-68 (2011) Article DOI: 10.1016/j.bmc.2011.11.031 BindingDB Entry DOI: 10.7270/Q21C1X99
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50360086 (CHEMBL1928727) Show SMILES CN(C)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O Show InChI InChI=1S/C18H17N7O4S/c1-22(2)16-5-4-15(25(26)27)9-18(16)30(28,29)23(3)20-11-14-12-21-24-7-6-13(10-19)8-17(14)24/h4-9,11-12H,1-3H3/b20-11+	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	44	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of recombinant PI3K p110beta using L-alpha-phosphotidylinositol as substrate and [gamma33P]ATP after 60 mins by thin layer chromatographic...				Bioorg Med Chem 20: 58-68 (2011) Article DOI: 10.1016/j.bmc.2011.11.031 BindingDB Entry DOI: 10.7270/Q21C1X99
					More data for this Ligand-Target Pair