BDBM50209294 CHEMBL3884860

SMILES: CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(ccc1OCCN1CCOCC1)[N+]([O-])=O

InChI Key: InChIKey=AOXAAEQFLNMCLC-BUVRLJJBSA-N

Data: 2 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 2 hits for monomerid = 50209294   

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 delta isoform (Homo sapiens (Human))	BDBM50209294 (CHEMBL3884860) Show SMILES CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(ccc1OCCN1CCOCC1)[N+]([O-])=O Show InChI InChI=1S/C22H23N7O6S/c1-26(24-15-18-16-25-28-5-4-17(14-23)12-20(18)28)36(32,33)22-13-19(29(30)31)2-3-21(22)35-11-8-27-6-9-34-10-7-27/h2-5,12-13,15-16H,6-11H2,1H3/b24-15+	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	94	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of p110delta (unknown origin) using L-alpha phosphatidylinositol as substrate after 1 hr in presence of [gamma33]-ATP by thin layer chroma...				Bioorg Med Chem Lett 27: 187-190 (2017) Article DOI: 10.1016/j.bmcl.2016.11.078 BindingDB Entry DOI: 10.7270/Q2BG2R0D
					More data for this Ligand-Target Pair
p110β/p85α (Homo sapiens (Human))	BDBM50209294 (CHEMBL3884860) Show SMILES CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(ccc1OCCN1CCOCC1)[N+]([O-])=O Show InChI InChI=1S/C22H23N7O6S/c1-26(24-15-18-16-25-28-5-4-17(14-23)12-20(18)28)36(32,33)22-13-19(29(30)31)2-3-21(22)35-11-8-27-6-9-34-10-7-27/h2-5,12-13,15-16H,6-11H2,1H3/b24-15+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...				Bioorg Med Chem Lett 27: 187-190 (2017) Article DOI: 10.1016/j.bmcl.2016.11.078 BindingDB Entry DOI: 10.7270/Q2BG2R0D
					More data for this Ligand-Target Pair