Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50009084   

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))	BDBM50118551 (CHEMBL137392 | Sulfamic acid 2-tert-butyl-4-oxo-4H...) Show SMILES CC(C)(C)c1cc(=O)c2cc(OS(N)(=O)=O)ccc2o1 Show InChI InChI=1S/C13H15NO5S/c1-13(2,3)12-7-10(15)9-6-8(19-20(14,16)17)4-5-11(9)18-12/h4-7H,1-3H3,(H2,14,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0470	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (BHU) Curated by ChEMBL					Assay Description Inhibition of human sulfatase using 4-methylumbelliferyl sulfate as substrate after 60 mins				Eur J Med Chem 177: 116-143 (2019) Article DOI: 10.1016/j.ejmech.2019.05.023 BindingDB Entry DOI: 10.7270/Q2W099B9
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50118567 (CHEMBL137692 | Sulfamic acid 2-nonyl-4-oxo-4H-chro...) Show SMILES CCCCCCCCCc1cc(=O)c2cc(OS(N)(=O)=O)ccc2o1 Show InChI InChI=1S/C18H25NO5S/c1-2-3-4-5-6-7-8-9-14-13-17(20)16-12-15(24-25(19,21)22)10-11-18(16)23-14/h10-13H,2-9H2,1H3,(H2,19,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0890	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (BHU) Curated by ChEMBL					Assay Description Inhibition of human sulfatase using 4-methylumbelliferyl sulfate as substrate after 60 mins				Eur J Med Chem 177: 116-143 (2019) Article DOI: 10.1016/j.ejmech.2019.05.023 BindingDB Entry DOI: 10.7270/Q2W099B9
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50121058 (CHEMBL275331) Show SMILES Cc1c(C)c(=O)oc2cc(OS(N)(=O)=O)ccc12 Show InChI InChI=1S/C11H11NO5S/c1-6-7(2)11(13)16-10-5-8(3-4-9(6)10)17-18(12,14)15/h3-5H,1-2H3,(H2,12,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (BHU) Curated by ChEMBL					Assay Description Inhibition of human sulfatase using 4-methylumbelliferyl sulfate as substrate after 60 mins				Eur J Med Chem 177: 116-143 (2019) Article DOI: 10.1016/j.ejmech.2019.05.023 BindingDB Entry DOI: 10.7270/Q2W099B9
					More data for this Ligand-Target Pair