BDBM50360051 CHEMBL1928548

SMILES: CCC(=NNS(=O)(=O)c1cc(ccc1C)[N+]([O-])=O)c1cnn2ccc(cc12)C#N

InChI Key: InChIKey=XIWHDASIBVXHQL-UHFFFAOYSA-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 = 50360051   

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))	BDBM50360051 (CHEMBL1928548) Show SMILES CCC(=NNS(=O)(=O)c1cc(ccc1C)[N+]([O-])=O)c1cnn2ccc(cc12)C#N |w:3.3| Show InChI InChI=1S/C18H16N6O4S/c1-3-16(15-11-20-23-7-6-13(10-19)8-17(15)23)21-22-29(27,28)18-9-14(24(25)26)5-4-12(18)2/h4-9,11,22H,3H2,1-2H3	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	10	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: 69-85 (2011) Article DOI: 10.1016/j.bmc.2011.11.029 BindingDB Entry DOI: 10.7270/Q2513ZNR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50360051 (CHEMBL1928548) Show SMILES CCC(=NNS(=O)(=O)c1cc(ccc1C)[N+]([O-])=O)c1cnn2ccc(cc12)C#N |w:3.3| Show InChI InChI=1S/C18H16N6O4S/c1-3-16(15-11-20-23-7-6-13(10-19)8-17(15)23)21-22-29(27,28)18-9-14(24(25)26)5-4-12(18)2/h4-9,11,22H,3H2,1-2H3	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	440	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: 69-85 (2011) Article DOI: 10.1016/j.bmc.2011.11.029 BindingDB Entry DOI: 10.7270/Q2513ZNR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50360051 (CHEMBL1928548) Show SMILES CCC(=NNS(=O)(=O)c1cc(ccc1C)[N+]([O-])=O)c1cnn2ccc(cc12)C#N |w:3.3| Show InChI InChI=1S/C18H16N6O4S/c1-3-16(15-11-20-23-7-6-13(10-19)8-17(15)23)21-22-29(27,28)18-9-14(24(25)26)5-4-12(18)2/h4-9,11,22H,3H2,1-2H3	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	>1.00E+3	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: 69-85 (2011) Article DOI: 10.1016/j.bmc.2011.11.029 BindingDB Entry DOI: 10.7270/Q2513ZNR
					More data for this Ligand-Target Pair