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BDBM50168258 CHEMBL3805369

SMILES: [H][C@]12CC[C@]([H])(CC(C1)C(=O)OCc1ccccc1)N2NC(=O)NS(=O)(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=SXIDUBYBXBAEPA-JLYLLQBASA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50168258   
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))		BDBM50168258
PNG
(CHEMBL3805369)
Show SMILES [H][C@]12CC[C@]([H])(CC(C1)C(=O)OCc1ccccc1)N2NC(=O)NS(=O)(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C22H24ClN3O5S/c23-17-6-10-20(11-7-17)32(29,30)25-22(28)24-26-18-8-9-19(26)13-16(12-18)21(27)31-14-15-4-2-1-3-5-15/h1-7,10-11,16,18-19H,8-9,12-14H2,(H2,24,25,28)/t16?,18-,19+
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PC cid
PC sid
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Similars
PubMed
 890n/an/an/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human estrone sulfatase expressed in CHO cells using 4-methylumbelliferyl sulfate as substrate by Hanes plot analysis

Eur J Med Chem 114: 170-90 (2016)


BindingDB Entry DOI: 10.7270/Q26Q2048
More data for this
Ligand-Target Pair