Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Steryl-sulfatase' and Ligand = 'BDBM50307886'   

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))	BDBM50307886 (5'-((1H-1,2,4-triazol-1-yl)methyl)-2'-cyanobipheny...) Show SMILES NS(=O)(=O)Oc1ccc(cc1)-c1cc(Cn2cncn2)ccc1C#N Show InChI InChI=1S/C16H13N5O3S/c17-8-14-2-1-12(9-21-11-19-10-20-21)7-16(14)13-3-5-15(6-4-13)24-25(18,22)23/h1-7,10-11H,9H2,(H2,18,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	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 JEG3 cells by scintillation spectrometry				J Med Chem 53: 2155-70 (2010) Article DOI: 10.1021/jm901705h BindingDB Entry DOI: 10.7270/Q2959JGF
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50307886 (5'-((1H-1,2,4-triazol-1-yl)methyl)-2'-cyanobipheny...) Show SMILES NS(=O)(=O)Oc1ccc(cc1)-c1cc(Cn2cncn2)ccc1C#N Show InChI InChI=1S/C16H13N5O3S/c17-8-14-2-1-12(9-21-11-19-10-20-21)7-16(14)13-3-5-15(6-4-13)24-25(18,22)23/h1-7,10-11H,9H2,(H2,18,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human JEG-3 cells using [6,7-3H]E1S after 1 hr by scintillation spectrometry				ACS Med Chem Lett 2: 243-247 (2011) Article DOI: 10.1021/ml100273k BindingDB Entry DOI: 10.7270/Q2X067BN
					More data for this Ligand-Target Pair