Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Steryl-sulfatase' and Ligand = 'BDBM50188234'   

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))	BDBM50188234 (CHEMBL269221) Show SMILES Cc1cc(=O)oc2ccc(OS(N)(=O)=O)cc12 Show InChI InChI=1S/C10H9NO5S/c1-6-4-10(12)15-9-3-2-7(5-8(6)9)16-17(11,13)14/h2-5H,1H3,(H2,11,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of sulphatase in human MCF7 cells assessed as inhibition of E1-STS activity				Eur J Med Chem 119: 141-68 (2016) Article DOI: 10.1016/j.ejmech.2016.03.087 BindingDB Entry DOI: 10.7270/Q29Z96V5
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