Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Steryl-sulfatase' and Ligand = 'BDBM50200942'   

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))	BDBM50200942 (3-O-sulfamoylestradiol 17beta-O-(N,N-dipentyl)sulf...) Show SMILES CCCCCN(CCCCC)S(=O)(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(OS(N)(=O)=O)ccc4[C@H]3CC[C@]12C |r| Show InChI InChI=1S/C28H46N2O6S2/c1-4-6-8-18-30(19-9-7-5-2)38(33,34)36-27-15-14-26-25-12-10-21-20-22(35-37(29,31)32)11-13-23(21)24(25)16-17-28(26,27)3/h11,13,20,24-27H,4-10,12,14-19H2,1-3H3,(H2,29,31,32)/t24-,25-,26+,27+,28+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of STS in placental microsomes by radiometric assay				J Med Chem 49: 7683-96 (2006) Article DOI: 10.1021/jm060705x BindingDB Entry DOI: 10.7270/Q2Z89C2X
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