BDBM50209297 CHEMBL3884166

SMILES: CN(CCCN1CCOCC1)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)C#N

InChI Key: InChIKey=OINXPJSUSPOFIX-MTDXEUNCSA-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 = 50209297   

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))	BDBM50209297 (CHEMBL3884166) Show SMILES CN(CCCN1CCOCC1)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)C#N Show InChI InChI=1S/C25H28N8O3S/c1-30(7-3-8-32-10-12-36-13-11-32)23-5-4-20(16-26)15-25(23)37(34,35)31(2)28-18-22-19-29-33-9-6-21(17-27)14-24(22)33/h4-6,9,14-15,18-19H,3,7-8,10-13H2,1-2H3/b28-18+	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	370	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))	BDBM50209297 (CHEMBL3884166) Show SMILES CN(CCCN1CCOCC1)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)C#N Show InChI InChI=1S/C25H28N8O3S/c1-30(7-3-8-32-10-12-36-13-11-32)23-5-4-20(16-26)15-25(23)37(34,35)31(2)28-18-22-19-29-33-9-6-21(17-27)14-24(22)33/h4-6,9,14-15,18-19H,3,7-8,10-13H2,1-2H3/b28-18+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia 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 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