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BDBM50247789 CHEMBL4064868

SMILES: CCOC(=O)C1=C(CN2CCOCC2CC(O)=O)NC(=NC1c1ccc(F)cc1Br)c1nccs1

InChI Key: InChIKey=XQWMHNVWNSLLBN-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50247789   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)		BDBM50247789
PNG
(CHEMBL4064868)
Show SMILES CCOC(=O)C1=C(CN2CCOCC2CC(O)=O)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,20|
Show InChI InChI=1S/C23H24BrFN4O5S/c1-2-34-23(32)19-17(11-29-6-7-33-12-14(29)10-18(30)31)27-21(22-26-5-8-35-22)28-20(19)15-4-3-13(25)9-16(15)24/h3-5,8-9,14,20H,2,6-7,10-12H2,1H3,(H,27,28)(H,30,31)
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/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