BDBM50247665 CHEMBL4068628

SMILES: CCOC(=O)C1=C(CN2CCOC[C@H]2C(O)=O)NC(=N[C@@H]1c1ccc(Cl)cc1Cl)c1nccs1

InChI Key: InChIKey=HYOCBTTZXCDPCE-FUHWJXTLSA-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 = 50247665   

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 GSC2 (Saccharomyces cerevisiae)	BDBM50247665 (CHEMBL4068628) Show SMILES CCOC(=O)C1=C(CN2CCOC[C@H]2C(O)=O)NC(=N[C@@H]1c1ccc(Cl)cc1Cl)c1nccs1 |r,c:5,19| Show InChI InChI=1S/C22H22Cl2N4O5S/c1-2-33-22(31)17-15(10-28-6-7-32-11-16(28)21(29)30)26-19(20-25-5-8-34-20)27-18(17)13-4-3-12(23)9-14(13)24/h3-5,8-9,16,18H,2,6-7,10-11H2,1H3,(H,26,27)(H,29,30)/t16-,18+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+4	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