BDBM50247794 CHEMBL4087396

SMILES: CCOC(=O)C1=C(CN2CCS(=O)(=O)CC2)NC(=NC1c1ccc(F)cc1Br)c1nccs1

InChI Key: InChIKey=WPSXEPDQSJBXCY-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 = 50247794   

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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50247794 (CHEMBL4087396) Show SMILES CCOC(=O)C1=C(CN2CCS(=O)(=O)CC2)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,18| Show InChI InChI=1S/C21H22BrFN4O4S2/c1-2-31-21(28)17-16(12-27-6-9-33(29,30)10-7-27)25-19(20-24-5-8-32-20)26-18(17)14-4-3-13(23)11-15(14)22/h3-5,8,11,18H,2,6-7,9-10,12H2,1H3,(H,25,26)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
HEC Pharma Group Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay				J Med Chem 61: 1355-1374 (2018) BindingDB Entry DOI: 10.7270/Q2XS5XS9
					More data for this Ligand-Target Pair