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BDBM50108118 CHEMBL3600594

SMILES: [H][C@@]12CC[C@H](NS(=O)(=O)c3cccc(c3)C(F)(F)F)[C@@]1(C)CC[C@]1([H])c3ccc(O)c(F)c3CC[C@@]21[H]

InChI Key: InChIKey=PNPQSXCUQOFCTJ-STDWZSPESA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50108118   
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))		BDBM50108118
PNG
(CHEMBL3600594)
Show SMILES [H][C@@]12CC[C@H](NS(=O)(=O)c3cccc(c3)C(F)(F)F)[C@@]1(C)CC[C@]1([H])c3ccc(O)c(F)c3CC[C@@]21[H] |r|
Show InChI InChI=1S/C25H27F4NO3S/c1-24-12-11-17-16-7-9-21(31)23(26)19(16)6-5-18(17)20(24)8-10-22(24)30-34(32,33)15-4-2-3-14(13-15)25(27,28)29/h2-4,7,9,13,17-18,20,22,30-31H,5-6,8,10-12H2,1H3/t17-,18-,20+,22+,24+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars
PubMed
 2.5n/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)


BindingDB Entry DOI: 10.7270/Q2R78H03
More data for this
Ligand-Target Pair