BDBM50209606 CHEMBL3884711

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

InChI Key: InChIKey=OSSKMBRJARMVDN-OEAKJJBVSA-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 = 50209606   

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))	BDBM50209606 (CHEMBL3884711) Show SMILES CN(C)CCN(C)c1ccc(cc1S(=O)(=O)N\N=C(/C)c1cnn2ccc(Br)cc12)[N+]([O-])=O Show InChI InChI=1S/C20H24BrN7O4S/c1-14(17-13-22-27-8-7-15(21)11-19(17)27)23-24-33(31,32)20-12-16(28(29)30)5-6-18(20)26(4)10-9-25(2)3/h5-8,11-13,24H,9-10H2,1-4H3/b23-14+	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	>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 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))	BDBM50209606 (CHEMBL3884711) Show SMILES CN(C)CCN(C)c1ccc(cc1S(=O)(=O)N\N=C(/C)c1cnn2ccc(Br)cc12)[N+]([O-])=O Show InChI InChI=1S/C20H24BrN7O4S/c1-14(17-13-22-27-8-7-15(21)11-19(17)27)23-24-33(31,32)20-12-16(28(29)30)5-6-18(20)26(4)10-9-25(2)3/h5-8,11-13,24H,9-10H2,1-4H3/b23-14+	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