Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Steryl-sulfatase' and Ligand = 'BDBM50121119'   

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))	BDBM50121119 (CHEMBL3622023) Show SMILES [H][C@]12CC[C@]3(C)C(=O)N(CCCCCC)C(=O)C[C@@]3([H])[C@]1([H])CCc1cc(OS(N)(=O)=O)ccc21 |r| Show InChI InChI=1S/C24H34N2O5S/c1-3-4-5-6-13-26-22(27)15-21-20-9-7-16-14-17(31-32(25,29)30)8-10-18(16)19(20)11-12-24(21,2)23(26)28/h8,10,14,19-21H,3-7,9,11-13,15H2,1-2H3,(H2,25,29,30)/t19-,20-,21+,24+/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	n/a	n/a	n/a	n/a	n/a	n/a
Punjabi University Curated by ChEMBL					Assay Description Inhibition of human placental microsomal estrone sulfatase using [3H]E1S as substrate incubated for 30 mins				Eur J Med Chem 114: 170-90 (2016) Article DOI: 10.1016/j.ejmech.2016.02.054 BindingDB Entry DOI: 10.7270/Q26Q2048
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50121119 (CHEMBL3622023) Show SMILES [H][C@]12CC[C@]3(C)C(=O)N(CCCCCC)C(=O)C[C@@]3([H])[C@]1([H])CCc1cc(OS(N)(=O)=O)ccc21 |r| Show InChI InChI=1S/C24H34N2O5S/c1-3-4-5-6-13-26-22(27)15-21-20-9-7-16-14-17(31-32(25,29)30)8-10-18(16)19(20)11-12-24(21,2)23(26)28/h8,10,14,19-21H,3-7,9,11-13,15H2,1-2H3,(H2,25,29,30)/t19-,20-,21+,24+/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	288	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 in presence of [3H]-estrone sulfate				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