Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Steryl-sulfatase' and Ligand = 'BDBM50168258'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Steryl-sulfatase (Homo sapiens (Human))	BDBM50168258 (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+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.ejmech.2016.02.054 BindingDB Entry DOI: 10.7270/Q26Q2048
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