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SMILES: CCOC(=O)C1=C(CN2CC(C)(C)OCC2C(O)=O)NC(=NC1c1ccc(F)cc1Br)c1nccs1

InChI Key: InChIKey=FUYCYUFNABDHQB-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50247690   
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)		BDBM50247690
PNG
(CHEMBL4104891)
Show SMILES CCOC(=O)C1=C(CN2CC(C)(C)OCC2C(O)=O)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,21|
Show InChI InChI=1S/C24H26BrFN4O5S/c1-4-34-23(33)18-16(10-30-12-24(2,3)35-11-17(30)22(31)32)28-20(21-27-7-8-36-21)29-19(18)14-6-5-13(26)9-15(14)25/h5-9,17,19H,4,10-12H2,1-3H3,(H,28,29)(H,31,32)
KEGG

UniProtKB/SwissProt

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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