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BDBM50247731 CHEMBL4096023

SMILES: CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)n1ncnn1

InChI Key: InChIKey=ZYULOYBBDKAWEQ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50247731   
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)		BDBM50247731
PNG
(CHEMBL4096023)
Show SMILES CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)n1ncnn1 |c:5,16|
Show InChI InChI=1S/C19H21BrFN7O3/c1-2-31-18(29)16-15(10-27-5-7-30-8-6-27)24-19(28-23-11-22-26-28)25-17(16)13-4-3-12(21)9-14(13)20/h3-4,9,11,17H,2,5-8,10H2,1H3,(H,24,25)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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