Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with all data for entry = 50037065   

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))	BDBM50118560 (CHEMBL262050 | Sulfamic acid 2-adamantan-1-yl-4-ox...) Show SMILES NS(=O)(=O)Oc1ccc2sc(cc(=O)c2c1)C12CC3CC(CC(C3)C1)C2 |TLB:23:22:25:17.18.19,23:18:25:24.22.21,THB:21:22:17:25.20.19,21:20:17:24.22.23| Show InChI InChI=1S/C19H21NO4S2/c20-26(22,23)24-14-1-2-17-15(6-14)16(21)7-18(25-17)19-8-11-3-12(9-19)5-13(4-11)10-19/h1-2,6-7,11-13H,3-5,8-10H2,(H2,20,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Research Institute Vienna Curated by ChEMBL					Assay Description Inhibitory activity against purified human steroid sulfatase (STS)				J Med Chem 45: 4310-20 (2002) BindingDB Entry DOI: 10.7270/Q2BZ66SF
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50118559 (CHEMBL341736 | Sulfamic acid 2-adamantan-2-yl-4-ox...) Show SMILES NS(=O)(=O)Oc1ccc2oc(cc(=O)c2c1)C1C2CC3CC(C2)CC1C3 |TLB:10:16:18:21.22.20,THB:23:24:18:21.22.20,23:21:18:16.24.25,20:19:16:21.22.23,20:21:16:19.18.25,(2.57,-6.94,;3.91,-6.18,;2.75,-5.04,;4.66,-4.73,;5.26,-6.94,;6.6,-6.18,;6.6,-4.63,;7.94,-3.84,;9.28,-4.63,;10.62,-3.84,;11.96,-4.63,;11.96,-6.18,;10.62,-6.94,;10.61,-8.49,;9.27,-6.16,;7.94,-6.94,;13.3,-3.88,;13.49,-2.37,;12.7,-1.02,;14.24,-1.86,;15.67,-1.49,;16.47,-2.66,;15.02,-1.97,;16.26,-4.17,;14.78,-4.54,;14.1,-3.27,)| Show InChI InChI=1S/C19H21NO5S/c20-26(22,23)25-14-1-2-17-15(8-14)16(21)9-18(24-17)19-12-4-10-3-11(6-12)7-13(19)5-10/h1-2,8-13,19H,3-7H2,(H2,20,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Research Institute Vienna Curated by ChEMBL					Assay Description Inhibitory activity against purified human steroid sulfatase (STS)				J Med Chem 45: 4310-20 (2002) BindingDB Entry DOI: 10.7270/Q2BZ66SF
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50118572 (CHEMBL137217 | Sulfamic acid 2-tert-butyl-4-oxo-4H...) Show SMILES CC(C)(C)c1cc(=O)c2cc(OS(N)(=O)=O)ccc2s1 Show InChI InChI=1S/C13H15NO4S2/c1-13(2,3)12-7-10(15)9-6-8(18-20(14,16)17)4-5-11(9)19-12/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	PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Research Institute Vienna Curated by ChEMBL					Assay Description Inhibitory activity against purified human steroid sulfatase (STS)				J Med Chem 45: 4310-20 (2002) BindingDB Entry DOI: 10.7270/Q2BZ66SF
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50118558 (CHEMBL137479 | Sulfamic acid 2-(octahydro-2,5-meth...) Show SMILES NS(=O)(=O)Oc1ccc2oc(cc(=O)c2c1)C1C2CC3CC1CC3C2 |TLB:24:23:16.17.18:20,THB:10:16:18:23.24,10:16:20:23.22,24:17:20:23.22,22:21:18:23.24,22:23:18:16.21.20| Show InChI InChI=1S/C18H19NO5S/c19-25(21,22)24-13-1-2-16-14(7-13)15(20)8-17(23-16)18-11-3-9-4-12(18)6-10(9)5-11/h1-2,7-12,18H,3-6H2,(H2,19,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Research Institute Vienna Curated by ChEMBL					Assay Description Inhibitory activity against purified human steroid sulfatase (STS)				J Med Chem 45: 4310-20 (2002) BindingDB Entry DOI: 10.7270/Q2BZ66SF
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50118573 (CHEMBL435988 | Sulfamic acid 4-oxo-2-(4-pentyl-bic...) Show SMILES CCCCCC12CCC(CC1)(CC2)c1cc(=O)c2cc(OS(N)(=O)=O)ccc2o1 Show InChI InChI=1S/C22H29NO5S/c1-2-3-4-7-21-8-11-22(12-9-21,13-10-21)20-15-18(24)17-14-16(28-29(23,25)26)5-6-19(17)27-20/h5-6,14-15H,2-4,7-13H2,1H3,(H2,23,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Research Institute Vienna Curated by ChEMBL					Assay Description Inhibitory activity against purified human steroid sulfatase (STS)				J Med Chem 45: 4310-20 (2002) BindingDB Entry DOI: 10.7270/Q2BZ66SF
					More data for this Ligand-Target Pair
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	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Research Institute Vienna Curated by ChEMBL					Assay Description Inhibitory activity against purified human steroid sulfatase (STS)				J Med Chem 45: 4310-20 (2002) BindingDB Entry DOI: 10.7270/Q2BZ66SF
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50118549 (CHEMBL137289 | Sulfamic acid 2-cyclododecyl-4-oxo-...) Show SMILES NS(=O)(=O)Oc1ccc2oc(cc(=O)c2c1)C1CCCCCCCCCCC1 Show InChI InChI=1S/C21H29NO5S/c22-28(24,25)27-17-12-13-20-18(14-17)19(23)15-21(26-20)16-10-8-6-4-2-1-3-5-7-9-11-16/h12-16H,1-11H2,(H2,22,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Research Institute Vienna Curated by ChEMBL					Assay Description Inhibitory activity against purified human steroid sulfatase (STS)				J Med Chem 45: 4310-20 (2002) BindingDB Entry DOI: 10.7270/Q2BZ66SF
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50118575 (CHEMBL137391 | Sulfamic acid 4-oxo-2-(2,2,3,3-tetr...) Show SMILES CC1(C)C(c2cc(=O)c3cc(OS(N)(=O)=O)ccc3o2)C1(C)C Show InChI InChI=1S/C16H19NO5S/c1-15(2)14(16(15,3)4)13-8-11(18)10-7-9(22-23(17,19)20)5-6-12(10)21-13/h5-8,14H,1-4H3,(H2,17,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Research Institute Vienna Curated by ChEMBL					Assay Description Inhibitory activity against purified human steroid sulfatase (STS)				J Med Chem 45: 4310-20 (2002) BindingDB Entry DOI: 10.7270/Q2BZ66SF
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50118548 (CHEMBL137513 | Sulfamic acid 3-cyclohexyl-4-oxo-4H...) Show SMILES NS(=O)(=O)Oc1ccc2c(c1)occ(C1CCCCC1)c2=O Show InChI InChI=1S/C15H17NO5S/c16-22(18,19)21-11-6-7-12-14(8-11)20-9-13(15(12)17)10-4-2-1-3-5-10/h6-10H,1-5H2,(H2,16,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Research Institute Vienna Curated by ChEMBL					Assay Description Inhibitory activity against purified human steroid sulfatase (STS)				J Med Chem 45: 4310-20 (2002) BindingDB Entry DOI: 10.7270/Q2BZ66SF
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50134329 (CHEMBL122708 | Sulfamic acid (11R,12S,15S,16S)-13-...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)ccc34)[C@@H]1CCC2=O Show InChI InChI=1S/C18H23NO4S/c1-18-9-8-14-13-5-3-12(23-24(19,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16H,2,4,6-9H2,1H3,(H2,19,21,22)/t14-,15-,16+,18+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Research Institute Vienna Curated by ChEMBL					Assay Description Inhibitory activity against purified human steroid sulfatase (STS)				J Med Chem 45: 4310-20 (2002) BindingDB Entry DOI: 10.7270/Q2BZ66SF
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50118550 (CHEMBL137169 | Sulfamic acid 4-oxo-2-phenyl-4H-thi...) Show SMILES NS(=O)(=O)Oc1ccc2sc(cc(=O)c2c1)-c1ccccc1 Show InChI InChI=1S/C15H11NO4S2/c16-22(18,19)20-11-6-7-14-12(8-11)13(17)9-15(21-14)10-4-2-1-3-5-10/h1-9H,(H2,16,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Research Institute Vienna Curated by ChEMBL					Assay Description Inhibitory activity against purified human steroid sulfatase (STS)				J Med Chem 45: 4310-20 (2002) BindingDB Entry DOI: 10.7270/Q2BZ66SF
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50118565 (CHEMBL138488 | Sulfamic acid 2-cyclohexyl-4-oxo-4H...) Show SMILES NS(=O)(=O)Oc1ccc2oc(cc(=O)c2c1)C1CCCCC1 Show InChI InChI=1S/C15H17NO5S/c16-22(18,19)21-11-6-7-14-12(8-11)13(17)9-15(20-14)10-4-2-1-3-5-10/h6-10H,1-5H2,(H2,16,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Research Institute Vienna Curated by ChEMBL					Assay Description Inhibitory activity against purified human steroid sulfatase (STS)				J Med Chem 45: 4310-20 (2002) BindingDB Entry DOI: 10.7270/Q2BZ66SF
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50118570 (CHEMBL137707 | Sulfamic acid 2-(1,1-dimethyl-nonyl...) Show SMILES CCCCCCCCC(C)(C)c1cc(=O)c2cc(OS(N)(=O)=O)ccc2o1 Show InChI InChI=1S/C20H29NO5S/c1-4-5-6-7-8-9-12-20(2,3)19-14-17(22)16-13-15(26-27(21,23)24)10-11-18(16)25-19/h10-11,13-14H,4-9,12H2,1-3H3,(H2,21,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Research Institute Vienna Curated by ChEMBL					Assay Description Inhibitory activity against purified human steroid sulfatase (STS)				J Med Chem 45: 4310-20 (2002) BindingDB Entry DOI: 10.7270/Q2BZ66SF
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50118569 (CHEMBL344037 | Sulfamic acid 2-cyclopentyl-4-oxo-4...) Show SMILES NS(=O)(=O)Oc1ccc2oc(cc(=O)c2c1)C1CCCC1 Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-10-5-6-13-11(7-10)12(16)8-14(19-13)9-3-1-2-4-9/h5-9H,1-4H2,(H2,15,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	134	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Research Institute Vienna Curated by ChEMBL					Assay Description Inhibitory activity against purified human steroid sulfatase (STS)				J Med Chem 45: 4310-20 (2002) BindingDB Entry DOI: 10.7270/Q2BZ66SF
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50118564 (CHEMBL136663 | Sulfamic acid 2-adamantan-1-yl-4-ox...) Show SMILES NS(=O)(=O)Oc1ccc2OC(CC(=O)c2c1)C12CC3CC(CC(C3)C1)C2 |TLB:23:22:25:17.18.19,23:18:25:24.22.21,THB:21:22:17:25.20.19,21:20:17:24.22.23| Show InChI InChI=1S/C19H23NO5S/c20-26(22,23)25-14-1-2-17-15(6-14)16(21)7-18(24-17)19-8-11-3-12(9-19)5-13(4-11)10-19/h1-2,6,11-13,18H,3-5,7-10H2,(H2,20,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Research Institute Vienna Curated by ChEMBL					Assay Description Inhibitory activity against purified human steroid sulfatase (STS)				J Med Chem 45: 4310-20 (2002) BindingDB Entry DOI: 10.7270/Q2BZ66SF
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50118574 (CHEMBL137119 | Sulfamic acid 4-oxo-2-phenethyl-4H-...) Show SMILES NS(=O)(=O)Oc1ccc2oc(CCc3ccccc3)cc(=O)c2c1 Show InChI InChI=1S/C17H15NO5S/c18-24(20,21)23-14-8-9-17-15(10-14)16(19)11-13(22-17)7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H2,18,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Research Institute Vienna Curated by ChEMBL					Assay Description Inhibitory activity against purified human steroid sulfatase (STS)				J Med Chem 45: 4310-20 (2002) BindingDB Entry DOI: 10.7270/Q2BZ66SF
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50118556 (CHEMBL136664 | Sulfamic acid 2-cyclohexyl-4-oxo-ch...) Show SMILES NS(=O)(=O)Oc1ccc2OC(CC(=O)c2c1)C1CCCCC1 Show InChI InChI=1S/C15H19NO5S/c16-22(18,19)21-11-6-7-14-12(8-11)13(17)9-15(20-14)10-4-2-1-3-5-10/h6-8,10,15H,1-5,9H2,(H2,16,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Research Institute Vienna Curated by ChEMBL					Assay Description Inhibitory activity against purified human steroid sulfatase (STS)				J Med Chem 45: 4310-20 (2002) BindingDB Entry DOI: 10.7270/Q2BZ66SF
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50118554 (CHEMBL137708 | Sulfamic acid 2-adamantan-1-yl-4-hy...) Show SMILES NS(=O)(=O)Oc1ccc2OC(CC(O)c2c1)C12CC3CC(CC(C3)C1)C2 |TLB:19:20:24:17.18.23,THB:19:18:24:25.20.21,21:20:17:24.22.23,21:22:17:25.20.19| Show InChI InChI=1S/C19H25NO5S/c20-26(22,23)25-14-1-2-17-15(6-14)16(21)7-18(24-17)19-8-11-3-12(9-19)5-13(4-11)10-19/h1-2,6,11-13,16,18,21H,3-5,7-10H2,(H2,20,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	291	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Research Institute Vienna Curated by ChEMBL					Assay Description Inhibitory activity against purified human steroid sulfatase (STS)				J Med Chem 45: 4310-20 (2002) BindingDB Entry DOI: 10.7270/Q2BZ66SF
					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	PubMed	n/a	n/a	403	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Research Institute Vienna Curated by ChEMBL					Assay Description Inhibitory activity against purified human steroid sulfatase (STS)				J Med Chem 45: 4310-20 (2002) BindingDB Entry DOI: 10.7270/Q2BZ66SF
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50118568 (CHEMBL137541 | Sulfamic acid 4-oxo-3-phenyl-4H-chr...) Show SMILES NS(=O)(=O)Oc1ccc2c(c1)occ(-c1ccccc1)c2=O Show InChI InChI=1S/C15H11NO5S/c16-22(18,19)21-11-6-7-12-14(8-11)20-9-13(15(12)17)10-4-2-1-3-5-10/h1-9H,(H2,16,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	437	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Research Institute Vienna Curated by ChEMBL					Assay Description Inhibitory activity against purified human steroid sulfatase (STS)				J Med Chem 45: 4310-20 (2002) BindingDB Entry DOI: 10.7270/Q2BZ66SF
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50118562 (CHEMBL137424 | Sulfamic acid 4-oxo-2-phenyl-4H-chr...) Show SMILES NS(=O)(=O)Oc1ccc2oc(cc(=O)c2c1)-c1ccccc1 Show InChI InChI=1S/C15H11NO5S/c16-22(18,19)21-11-6-7-14-12(8-11)13(17)9-15(20-14)10-4-2-1-3-5-10/h1-9H,(H2,16,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	672	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Research Institute Vienna Curated by ChEMBL					Assay Description Inhibitory activity against purified human steroid sulfatase (STS)				J Med Chem 45: 4310-20 (2002) BindingDB Entry DOI: 10.7270/Q2BZ66SF
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50118566 (CHEMBL137262 | Sulfamic acid 4-oxo-2-propyl-4H-chr...) Show SMILES CCCc1cc(=O)c2cc(OS(N)(=O)=O)ccc2o1 Show InChI InChI=1S/C12H13NO5S/c1-2-3-8-7-11(14)10-6-9(18-19(13,15)16)4-5-12(10)17-8/h4-7H,2-3H2,1H3,(H2,13,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	722	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Research Institute Vienna Curated by ChEMBL					Assay Description Inhibitory activity against purified human steroid sulfatase (STS)				J Med Chem 45: 4310-20 (2002) BindingDB Entry DOI: 10.7270/Q2BZ66SF
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50118571 (CHEMBL137156 | Sulfamic acid 2-benzyl-4-oxo-4H-chr...) Show SMILES NS(=O)(=O)Oc1ccc2oc(Cc3ccccc3)cc(=O)c2c1 Show InChI InChI=1S/C16H13NO5S/c17-23(19,20)22-12-6-7-16-14(9-12)15(18)10-13(21-16)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H2,17,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Research Institute Vienna Curated by ChEMBL					Assay Description Inhibitory activity against purified human steroid sulfatase (STS)				J Med Chem 45: 4310-20 (2002) BindingDB Entry DOI: 10.7270/Q2BZ66SF
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50118555 (CHEMBL137243 | Sulfamic acid 4-oxo-2-styryl-4H-chr...) Show SMILES NS(=O)(=O)Oc1ccc2oc(\C=C\c3ccccc3)cc(=O)c2c1 Show InChI InChI=1S/C17H13NO5S/c18-24(20,21)23-14-8-9-17-15(10-14)16(19)11-13(22-17)7-6-12-4-2-1-3-5-12/h1-11H,(H2,18,20,21)/b7-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Research Institute Vienna Curated by ChEMBL					Assay Description Inhibitory activity against purified human steroid sulfatase (STS)				J Med Chem 45: 4310-20 (2002) BindingDB Entry DOI: 10.7270/Q2BZ66SF
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50118561 (CHEMBL137313 | Sulfamic acid 4-oxo-2-phenyl-chroma...) Show SMILES NS(=O)(=O)Oc1ccc2OC(CC(=O)c2c1)c1ccccc1 Show InChI InChI=1S/C15H13NO5S/c16-22(18,19)21-11-6-7-14-12(8-11)13(17)9-15(20-14)10-4-2-1-3-5-10/h1-8,15H,9H2,(H2,16,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Research Institute Vienna Curated by ChEMBL					Assay Description Inhibitory activity against purified human steroid sulfatase (STS)				J Med Chem 45: 4310-20 (2002) BindingDB Entry DOI: 10.7270/Q2BZ66SF
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50118557 (CHEMBL137227 | Sulfamic acid 2-cyclohexyl-4-oxo-4H...) Show SMILES NS(=O)(=O)Oc1ccc2c(c1)oc(cc2=O)C1CCCCC1 Show InChI InChI=1S/C15H17NO5S/c16-22(18,19)21-11-6-7-12-13(17)9-14(20-15(12)8-11)10-4-2-1-3-5-10/h6-10H,1-5H2,(H2,16,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Research Institute Vienna Curated by ChEMBL					Assay Description Inhibitory activity against purified human steroid sulfatase (STS)				J Med Chem 45: 4310-20 (2002) BindingDB Entry DOI: 10.7270/Q2BZ66SF
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50118563 (CHEMBL334696 | Sulfamic acid 2-cyclohexyl-chroman-...) Show SMILES NS(=O)(=O)Oc1ccc2OC(CCc2c1)C1CCCCC1 Show InChI InChI=1S/C15H21NO4S/c16-21(17,18)20-13-7-9-15-12(10-13)6-8-14(19-15)11-4-2-1-3-5-11/h7,9-11,14H,1-6,8H2,(H2,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Research Institute Vienna Curated by ChEMBL					Assay Description Inhibitory activity against purified human steroid sulfatase (STS)				J Med Chem 45: 4310-20 (2002) BindingDB Entry DOI: 10.7270/Q2BZ66SF
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50118553 (CHEMBL342715 | Sulfamic acid 2-cyclohexyl-4-hydrox...) Show SMILES NS(=O)(=O)Oc1ccc2OC(CC(O)c2c1)C1CCCCC1 Show InChI InChI=1S/C15H21NO5S/c16-22(18,19)21-11-6-7-14-12(8-11)13(17)9-15(20-14)10-4-2-1-3-5-10/h6-8,10,13,15,17H,1-5,9H2,(H2,16,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Research Institute Vienna Curated by ChEMBL					Assay Description Inhibitory activity against purified human steroid sulfatase (STS)				J Med Chem 45: 4310-20 (2002) BindingDB Entry DOI: 10.7270/Q2BZ66SF
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50118552 (CHEMBL137461 | Sulfamic acid 4-oxo-2-propyl-4H-chr...) Show SMILES CCCc1cc(=O)c2ccc(OS(N)(=O)=O)cc2o1 Show InChI InChI=1S/C12H13NO5S/c1-2-3-8-6-11(14)10-5-4-9(7-12(10)17-8)18-19(13,15)16/h4-7H,2-3H2,1H3,(H2,13,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Research Institute Vienna Curated by ChEMBL					Assay Description Inhibitory activity against purified human steroid sulfatase (STS)				J Med Chem 45: 4310-20 (2002) BindingDB Entry DOI: 10.7270/Q2BZ66SF
					More data for this Ligand-Target Pair