BDBM50209576 CHEMBL3885459

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

InChI Key: InChIKey=SJIXEBMUNVXCHL-PCLIKHOPSA-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 = 50209576   

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
p110β/p85α (Homo sapiens (Human))	BDBM50209576 (CHEMBL3885459) Show SMILES CN(C)CCN(C)c1ccc(cc1S(=O)(=O)N(C)\N=C(/C)c1cnn2ccc(cc12)C#N)[N+]([O-])=O Show InChI InChI=1S/C22H26N8O4S/c1-16(19-15-24-29-9-8-17(14-23)12-21(19)29)25-28(5)35(33,34)22-13-18(30(31)32)6-7-20(22)27(4)11-10-26(2)3/h6-9,12-13,15H,10-11H2,1-5H3/b25-16+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50209576 (CHEMBL3885459) Show SMILES CN(C)CCN(C)c1ccc(cc1S(=O)(=O)N(C)\N=C(/C)c1cnn2ccc(cc12)C#N)[N+]([O-])=O Show InChI InChI=1S/C22H26N8O4S/c1-16(19-15-24-29-9-8-17(14-23)12-21(19)29)25-28(5)35(33,34)22-13-18(30(31)32)6-7-20(22)27(4)11-10-26(2)3/h6-9,12-13,15H,10-11H2,1-5H3/b25-16+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	658	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