BDBM50247737 CHEMBL4074934

SMILES: CCOC(=O)C1=C(CN2CCOC[C@@H]2CCC(O)=O)NC(=N[C@H]1c1ccc(F)cc1Br)c1nccs1

InChI Key: InChIKey=GTVGTNQWQJLDEG-BTYIYWSLSA-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 = 50247737   

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)	BDBM50247737 (CHEMBL4074934) Show SMILES CCOC(=O)C1=C(CN2CCOC[C@@H]2CCC(O)=O)NC(=N[C@H]1c1ccc(F)cc1Br)c1nccs1 |r,c:5,21| Show InChI InChI=1S/C24H26BrFN4O5S/c1-2-35-24(33)20-18(12-30-8-9-34-13-15(30)4-6-19(31)32)28-22(23-27-7-10-36-23)29-21(20)16-5-3-14(26)11-17(16)25/h3,5,7,10-11,15,21H,2,4,6,8-9,12-13H2,1H3,(H,28,29)(H,31,32)/t15-,21-/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