Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Steryl-sulfatase' and Ligand = 'BDBM50541454'   

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))	BDBM50541454 (CHEMBL4636936) Show SMILES NS(=O)(=O)Oc1ccc(cc1Br)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:14:15:18:22.20.21,THB:20:19:16:22.21.23,20:21:18.19.24:16,23:21:18:24.15.16,23:15:18:22.20.21| Show InChI InChI=1S/C17H21BrN2O4S/c18-14-6-13(1-2-15(14)24-25(19,22)23)16(21)20-17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12H,3-5,7-9H2,(H,20,21)(H2,19,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
University of Sharjah Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human JEG3 cell lysates using [3H] E1S as substrate after 1 hr by scintillation spectrometry analysis				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115406 BindingDB Entry DOI: 10.7270/Q2ZG6WSG
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