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BDBM50247688 CHEMBL4079166

SMILES: CCOC(=O)C1=C(CN2CCOCC2C(N)=O)NC(=NC1c1ccc(F)cc1Br)c1nccs1

InChI Key: InChIKey=KKRFLCYSPARXKK-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50247688   
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)		BDBM50247688
PNG
(CHEMBL4079166)
Show SMILES CCOC(=O)C1=C(CN2CCOCC2C(N)=O)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,19|
Show InChI InChI=1S/C22H23BrFN5O4S/c1-2-33-22(31)17-15(10-29-6-7-32-11-16(29)19(25)30)27-20(21-26-5-8-34-21)28-18(17)13-4-3-12(24)9-14(13)23/h3-5,8-9,16,18H,2,6-7,10-11H2,1H3,(H2,25,30)(H,27,28)
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
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