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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Steryl-sulfatase' and Ligand = 'BDBM50369733'   
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))		BDBM50369733
PNG
(CHEMBL1627640)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)Cc1cccc(F)c1
Show InChI InChI=1S/C25H29FO2/c1-24-11-9-21-20-8-6-19(27)14-17(20)5-7-22(21)23(24)10-12-25(24,28)15-16-3-2-4-18(26)13-16/h2-4,6,8,13-14,21-23,27-28H,5,7,9-12,15H2,1H3/t21-,22-,23+,24+,25-/m1/s1
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PubMed
n/an/a 130n/an/an/an/an/an/a



Laval University Medical Center (CHUL)

Curated by ChEMBL


Assay Description
Inhibition of steroid sulfatase activity of JEG-3 cells

J Med Chem 43: 4465-78 (2000)


BindingDB Entry DOI: 10.7270/Q2MC90QT
More data for this
Ligand-Target Pair