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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Steryl-sulfatase' and Ligand = 'BDBM50108119'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Steryl-sulfatase


(Homo sapiens (Human))		BDBM50108119
PNG
(CHEMBL3600587)
Show SMILES [H][C@@]12CC[C@H](NS(=O)(=O)c3ccc(cc3)-c3ccccc3)[C@@]1(C)CC[C@]1([H])c3ccc(O)c(c3CC[C@@]21[H])[N+]([O-])=O |r|
Show InChI InChI=1S/C30H32N2O5S/c1-30-18-17-23-22-13-15-27(33)29(32(34)35)25(22)12-11-24(23)26(30)14-16-28(30)31-38(36,37)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-10,13,15,23-24,26,28,31,33H,11-12,14,16-18H2,1H3/t23-,24-,26+,28+,30+/m1/s1
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Similars
Article
PubMed
 1n/an/an/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Reversible inhibition of STS (unknown origin) using 4-MUS as substrate measured over 10 mins by fluorescence assay

Bioorg Med Chem 23: 5681-92 (2015)


Article DOI: 10.1016/j.bmc.2015.07.019
BindingDB Entry DOI: 10.7270/Q2R78H03
More data for this
Ligand-Target Pair