Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Steryl-sulfatase' and Ligand = 'BDBM50151143'   

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))	BDBM50151143 (2-Adamantan-1-yl-4-oxo-4H-chromene-6-carboxylic ac...) Show SMILES NC(=O)c1ccc2oc(cc(=O)c2c1)C12CC3CC(CC(C3)C1)C2 |TLB:21:20:23:15.16.17,21:16:23:22.20.19,17:18:22:15.16.21,THB:17:16:22:23.18.19| Show InChI InChI=1S/C20H21NO3/c21-19(23)14-1-2-17-15(6-14)16(22)7-18(24-17)20-8-11-3-12(9-20)5-13(4-11)10-20/h1-2,6-7,11-13H,3-5,8-10H2,(H2,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Vienna Curated by ChEMBL					Assay Description Inhibitory activity against human steroid sulfatase				J Med Chem 47: 4268-76 (2004) Article DOI: 10.1021/jm0407916 BindingDB Entry DOI: 10.7270/Q2XW4KK4
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50151143 (2-Adamantan-1-yl-4-oxo-4H-chromene-6-carboxylic ac...) Show SMILES NC(=O)c1ccc2oc(cc(=O)c2c1)C12CC3CC(CC(C3)C1)C2 |TLB:21:20:23:15.16.17,21:16:23:22.20.19,17:18:22:15.16.21,THB:17:16:22:23.18.19| Show InChI InChI=1S/C20H21NO3/c21-19(23)14-1-2-17-15(6-14)16(22)7-18(24-17)20-8-11-3-12(9-20)5-13(4-11)10-20/h1-2,6-7,11-13H,3-5,8-10H2,(H2,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>180	n/a	n/a	n/a	n/a	n/a	n/a
Punjabi University Curated by ChEMBL					Assay Description Inhibition of recombinant human estrone sulfatase expressed in CHO cells using 4-methylumbelliferyl sulfate as substrate by fluorimetric assay				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))	BDBM50151143 (2-Adamantan-1-yl-4-oxo-4H-chromene-6-carboxylic ac...) Show SMILES NC(=O)c1ccc2oc(cc(=O)c2c1)C12CC3CC(CC(C3)C1)C2 |TLB:21:20:23:15.16.17,21:16:23:22.20.19,17:18:22:15.16.21,THB:17:16:22:23.18.19| Show InChI InChI=1S/C20H21NO3/c21-19(23)14-1-2-17-15(6-14)16(22)7-18(24-17)20-8-11-3-12(9-20)5-13(4-11)10-20/h1-2,6-7,11-13H,3-5,8-10H2,(H2,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>530	n/a	n/a	n/a	n/a	n/a	n/a
Punjabi University Curated by ChEMBL					Assay Description Inhibition of recombinant human estrone sulfatase using 4-methylumbelliferyl sulfate as substrate by colorimetric assay				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))	BDBM50151143 (2-Adamantan-1-yl-4-oxo-4H-chromene-6-carboxylic ac...) Show SMILES NC(=O)c1ccc2oc(cc(=O)c2c1)C12CC3CC(CC(C3)C1)C2 |TLB:21:20:23:15.16.17,21:16:23:22.20.19,17:18:22:15.16.21,THB:17:16:22:23.18.19| Show InChI InChI=1S/C20H21NO3/c21-19(23)14-1-2-17-15(6-14)16(22)7-18(24-17)20-8-11-3-12(9-20)5-13(4-11)10-20/h1-2,6-7,11-13H,3-5,8-10H2,(H2,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Vienna Curated by ChEMBL					Assay Description Inhibitory activity against human steroid sulfatase over-expressed in CHO cells				J Med Chem 47: 4268-76 (2004) Article DOI: 10.1021/jm0407916 BindingDB Entry DOI: 10.7270/Q2XW4KK4
					More data for this Ligand-Target Pair