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

InChI Key: InChIKey=DOFDOBAUWBYPNX-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50247687   
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 GSC2


(Saccharomyces cerevisiae)		BDBM50247687
PNG
(CHEMBL4100564)
Show SMILES CCOC(=O)C1=C(CN2CCOCC2C(=O)NC)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,20|
Show InChI InChI=1S/C23H25BrFN5O4S/c1-3-34-23(32)18-16(11-30-7-8-33-12-17(30)21(31)26-2)28-20(22-27-6-9-35-22)29-19(18)14-5-4-13(25)10-15(14)24/h4-6,9-10,17,19H,3,7-8,11-12H2,1-2H3,(H,26,31)(H,28,29)
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
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)


Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9
More data for this
Ligand-Target Pair