BDBM110513 US8614215, 85

SMILES: COc1ccc(CC2CCS(=O)(=O)CC2)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(CN(C)C)cc2)c1

InChI Key: InChIKey=WUVMYOMYUAIZRF-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 110513   

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 gamma isoform (Homo sapiens (Human))	BDBM110513 (US8614215, 85) Show SMILES COc1ccc(CC2CCS(=O)(=O)CC2)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(CN(C)C)cc2)c1 Show InChI InChI=1S/C30H35N5O5S2/c1-35(2)20-22-8-12-25(13-9-22)42(38,39)34-30-29(31-26-6-4-5-7-27(26)32-30)33-28-19-24(40-3)11-10-23(28)18-21-14-16-41(36,37)17-15-21/h4-13,19,21H,14-18,20H2,1-3H3,(H,31,33)(H,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono SA US Patent					Assay Description The assay combines the scintillation proximity assay technology (SPA, Amersham) with the capacity of neomycin (a polycationic antibiotic) to bind pho...				US Patent US8614215 (2013) BindingDB Entry DOI: 10.7270/Q24M936D
					More data for this Ligand-Target Pair