Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Steryl-sulfatase' and Ligand = 'BDBM50151138'   

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))	BDBM50151138 ((2-Adamantan-1-yl-4-oxo-4H-chromen-6-yl)-acetic ac...) Show SMILES OC(=O)Cc1ccc2oc(cc(=O)c2c1)C12CC3CC(CC(C3)C1)C2 |TLB:22:21:24:16.17.18,22:17:24:23.21.20,THB:20:19:16:23.21.22,20:21:16:24.19.18| Show InChI InChI=1S/C21H22O4/c22-17-8-19(21-9-13-3-14(10-21)5-15(4-13)11-21)25-18-2-1-12(6-16(17)18)7-20(23)24/h1-2,6,8,13-15H,3-5,7,9-11H2,(H,23,24)	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))	BDBM50151138 ((2-Adamantan-1-yl-4-oxo-4H-chromen-6-yl)-acetic ac...) Show SMILES OC(=O)Cc1ccc2oc(cc(=O)c2c1)C12CC3CC(CC(C3)C1)C2 |TLB:22:21:24:16.17.18,22:17:24:23.21.20,THB:20:19:16:23.21.22,20:21:16:24.19.18| Show InChI InChI=1S/C21H22O4/c22-17-8-19(21-9-13-3-14(10-21)5-15(4-13)11-21)25-18-2-1-12(6-16(17)18)7-20(23)24/h1-2,6,8,13-15H,3-5,7,9-11H2,(H,23,24)	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))	BDBM50151138 ((2-Adamantan-1-yl-4-oxo-4H-chromen-6-yl)-acetic ac...) Show SMILES OC(=O)Cc1ccc2oc(cc(=O)c2c1)C12CC3CC(CC(C3)C1)C2 |TLB:22:21:24:16.17.18,22:17:24:23.21.20,THB:20:19:16:23.21.22,20:21:16:24.19.18| Show InChI InChI=1S/C21H22O4/c22-17-8-19(21-9-13-3-14(10-21)5-15(4-13)11-21)25-18-2-1-12(6-16(17)18)7-20(23)24/h1-2,6,8,13-15H,3-5,7,9-11H2,(H,23,24)	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))	BDBM50151138 ((2-Adamantan-1-yl-4-oxo-4H-chromen-6-yl)-acetic ac...) Show SMILES OC(=O)Cc1ccc2oc(cc(=O)c2c1)C12CC3CC(CC(C3)C1)C2 |TLB:22:21:24:16.17.18,22:17:24:23.21.20,THB:20:19:16:23.21.22,20:21:16:24.19.18| Show InChI InChI=1S/C21H22O4/c22-17-8-19(21-9-13-3-14(10-21)5-15(4-13)11-21)25-18-2-1-12(6-16(17)18)7-20(23)24/h1-2,6,8,13-15H,3-5,7,9-11H2,(H,23,24)	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