Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Steryl-sulfatase' and Ligand = 'BDBM50380219'   

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))	BDBM50380219 (CHEMBL2011417) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4c(Br)c(OS(N)(=O)=O)ccc34)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C18H22BrNO4S/c1-18-9-8-11-10-4-6-15(24-25(20,22)23)17(19)13(10)3-2-12(11)14(18)5-7-16(18)21/h4,6,11-12,14H,2-3,5,7-9H2,1H3,(H2,20,22,23)/t11-,12-,14+,18+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human MCF7 cells using [3H]E1S as substrate after 20 hrs by scintillation spectrometry				Bioorg Med Chem 20: 2506-19 (2012) Article DOI: 10.1016/j.bmc.2012.03.007 BindingDB Entry DOI: 10.7270/Q2XG9S4J
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50380219 (CHEMBL2011417) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4c(Br)c(OS(N)(=O)=O)ccc34)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C18H22BrNO4S/c1-18-9-8-11-10-4-6-15(24-25(20,22)23)17(19)13(10)3-2-12(11)14(18)5-7-16(18)21/h4,6,11-12,14H,2-3,5,7-9H2,1H3,(H2,20,22,23)/t11-,12-,14+,18+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of STS activity in human placental microsome				J Med Chem 58: 7634-58 (2015) Article DOI: 10.1021/acs.jmedchem.5b00386 BindingDB Entry DOI: 10.7270/Q2474CP9
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50380219 (CHEMBL2011417) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4c(Br)c(OS(N)(=O)=O)ccc34)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C18H22BrNO4S/c1-18-9-8-11-10-4-6-15(24-25(20,22)23)17(19)13(10)3-2-12(11)14(18)5-7-16(18)21/h4,6,11-12,14H,2-3,5,7-9H2,1H3,(H2,20,22,23)/t11-,12-,14+,18+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human placental microsomes using [3H]E1S as substrate after 30 mins by scintillation spectrometry				Bioorg Med Chem 20: 2506-19 (2012) Article DOI: 10.1016/j.bmc.2012.03.007 BindingDB Entry DOI: 10.7270/Q2XG9S4J
					More data for this Ligand-Target Pair