Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Steryl-sulfatase' and Ligand = 'BDBM50168216'   

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))	BDBM50168216 (CHEMBL3806006) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(cc3CC[C@@]21[H])B(O)O |r| Show InChI InChI=1S/C18H23BO3/c1-18-9-8-14-13-5-3-12(19(21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,21-22H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Punjabi University Curated by ChEMBL					Assay Description Reversible inhibition of human estrone sulfatase using 4-methylumbelliferyl sulfate as substrate by fluorimetric assay				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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