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SMILES: CCOC(=O)C1=C(CN2CC(F)(F)C[C@H]2C(O)=O)NC(=N[C@H]1c1ccc(F)cc1Br)c1nccs1

InChI Key: InChIKey=ZCWZPEVXZJVVSI-RDJZCZTQSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50247740   
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)		BDBM50247740
PNG
(CHEMBL4063560)
Show SMILES CCOC(=O)C1=C(CN2CC(F)(F)C[C@H]2C(O)=O)NC(=N[C@H]1c1ccc(F)cc1Br)c1nccs1 |r,c:5,20|
Show InChI InChI=1S/C22H20BrF3N4O4S/c1-2-34-21(33)16-14(9-30-10-22(25,26)8-15(30)20(31)32)28-18(19-27-5-6-35-19)29-17(16)12-4-3-11(24)7-13(12)23/h3-7,15,17H,2,8-10H2,1H3,(H,28,29)(H,31,32)/t15-,17-/m0/s1
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Article
PubMed
n/an/a>3.00E+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