Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Steryl-sulfatase' and Ligand = 'BDBM50266404'   

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))	BDBM50266404 (CHEMBL4102153) Show SMILES NS(=O)(=O)Oc1ccc(cc1F)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F Show InChI InChI=1S/C17H10F3NO5S2/c18-9-2-3-11(22)16(20)15(9)17(23)14-6-5-13(27-14)8-1-4-12(10(19)7-8)26-28(21,24)25/h1-7,22H,(H2,21,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of STS in human T47D cells preincubated for 1 hr followed by addition of [3H]-E1S/E1S as substrate measured after 24 hrs by HPLC based rad...				J Med Chem 60: 4086-4092 (2017) Article DOI: 10.1021/acs.jmedchem.7b00062 BindingDB Entry DOI: 10.7270/Q2J968VG
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50266404 (CHEMBL4102153) Show SMILES NS(=O)(=O)Oc1ccc(cc1F)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F Show InChI InChI=1S/C17H10F3NO5S2/c18-9-2-3-11(22)16(20)15(9)17(23)14-6-5-13(27-14)8-1-4-12(10(19)7-8)26-28(21,24)25/h1-7,22H,(H2,21,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Irreversible inhibition of STS in human T47D cells preincubated for 2 hrs followed by compound washout and addition of [3H]-E1S/E1S as substrate meas...				J Med Chem 60: 4086-4092 (2017) Article DOI: 10.1021/acs.jmedchem.7b00062 BindingDB Entry DOI: 10.7270/Q2J968VG
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50266404 (CHEMBL4102153) Show SMILES NS(=O)(=O)Oc1ccc(cc1F)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F Show InChI InChI=1S/C17H10F3NO5S2/c18-9-2-3-11(22)16(20)15(9)17(23)14-6-5-13(27-14)8-1-4-12(10(19)7-8)26-28(21,24)25/h1-7,22H,(H2,21,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placental microsomal STS assessed as formation of E1 preincubated for 30 mins followed by addition of E1S as substrate measured a...				J Med Chem 60: 4086-4092 (2017) Article DOI: 10.1021/acs.jmedchem.7b00062 BindingDB Entry DOI: 10.7270/Q2J968VG
					More data for this Ligand-Target Pair