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SMILES: [H][C@@]12CC[C@H](NS(=O)(=O)c3ccc(cc3)-c3ccccc3)[C@@]1(C)CC[C@]1([H])c3cc(c(O)cc3CC[C@@]21[H])[N+]([O-])=O

InChI Key: InChIKey=GPWXMRXOHJVIAK-ZKVCXLDKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50108122   
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
Steryl-sulfatase


(Homo sapiens (Human))		BDBM50108122
PNG
(CHEMBL3600591)
Show SMILES [H][C@@]12CC[C@H](NS(=O)(=O)c3ccc(cc3)-c3ccccc3)[C@@]1(C)CC[C@]1([H])c3cc(c(O)cc3CC[C@@]21[H])[N+]([O-])=O |r|
Show InChI InChI=1S/C30H32N2O5S/c1-30-16-15-23-24(12-9-21-17-28(33)27(32(34)35)18-25(21)23)26(30)13-14-29(30)31-38(36,37)22-10-7-20(8-11-22)19-5-3-2-4-6-19/h2-8,10-11,17-18,23-24,26,29,31,33H,9,12-16H2,1H3/t23-,24+,26-,29-,30-/m0/s1
PDB
MMDB

KEGG

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PC cid
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Similars
Article
PubMed
n/an/a 33n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
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