Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Steryl-sulfatase' and Ligand = 'BDBM50501544'   

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))	BDBM50501544 (CHEMBL4061169) Show SMILES NS(=O)(=O)Oc1ccc2cc(-c3ccc(cc3)[N+]([O-])=O)c(=O)oc2c1 Show InChI InChI=1S/C15H10N2O7S/c16-25(21,22)24-12-6-3-10-7-13(15(18)23-14(10)8-12)9-1-4-11(5-2-9)17(19)20/h1-8H,(H2,16,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Gdansk University of Technology Curated by ChEMBL					Assay Description Inhibition of human placenta steroid sulfatase using p-nitrophenyl sulfate as substrate after 15 mins				Eur J Med Chem 128: 79-87 (2017) Article DOI: 10.1016/j.ejmech.2017.01.028 BindingDB Entry DOI: 10.7270/Q2KD21WV
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