Compile Data Set for Download or QSAR

Found 68 hits of ki for UniProtKB: P08842   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Steryl-sulfatase (Homo sapiens (Human))	BDBM50108119 (CHEMBL3600587) Show SMILES [H][C@@]12CC[C@H](NS(=O)(=O)c3ccc(cc3)-c3ccccc3)[C@@]1(C)CC[C@]1([H])c3ccc(O)c(c3CC[C@@]21[H])[N+]([O-])=O |r| Show InChI InChI=1S/C30H32N2O5S/c1-30-18-17-23-22-13-15-27(33)29(32(34)35)25(22)12-11-24(23)26(30)14-16-28(30)31-38(36,37)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-10,13,15,23-24,26,28,31,33H,11-12,14,16-18H2,1H3/t23-,24-,26+,28+,30+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Reversible inhibition of STS (unknown origin) using 4-MUS as substrate measured over 10 mins by fluorescence assay				Bioorg Med Chem 23: 5681-92 (2015) Article DOI: 10.1016/j.bmc.2015.07.019 BindingDB Entry DOI: 10.7270/Q2R78H03
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50108118 (CHEMBL3600594) Show SMILES [H][C@@]12CC[C@H](NS(=O)(=O)c3cccc(c3)C(F)(F)F)[C@@]1(C)CC[C@]1([H])c3ccc(O)c(F)c3CC[C@@]21[H] |r| Show InChI InChI=1S/C25H27F4NO3S/c1-24-12-11-17-16-7-9-21(31)23(26)19(16)6-5-18(17)20(24)8-10-22(24)30-34(32,33)15-4-2-3-14(13-15)25(27,28)29/h2-4,7,9,13,17-18,20,22,30-31H,5-6,8,10-12H2,1H3/t17-,18-,20+,22+,24+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Reversible inhibition of STS (unknown origin) using 4-MUS as substrate measured over 10 mins by fluorescence assay				Bioorg Med Chem 23: 5681-92 (2015) Article DOI: 10.1016/j.bmc.2015.07.019 BindingDB Entry DOI: 10.7270/Q2R78H03
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50161121 (4-(4-Bromo-2,5-dichloro-thiophene-3-sulfonylaminoc...) Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NS(=O)(=O)c1c(Cl)sc(Cl)c1Br Show InChI InChI=1S/C15H19BrCl2N2O5S2/c1-15(2,3)25-14(22)20-6-4-8(5-7-20)13(21)19-27(23,24)10-9(16)11(17)26-12(10)18/h8H,4-7H2,1-3H3,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibitory constant against human Steroid sulfatase				Bioorg Med Chem Lett 15: 1235-8 (2005) Article DOI: 10.1016/j.bmcl.2004.11.069 BindingDB Entry DOI: 10.7270/Q2RF5THG
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50363580 (CHEMBL1945908) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2NS(=O)(=O)c1cccc(Br)c1 |r| Show InChI InChI=1S/C24H28BrNO3S/c1-24-12-11-20-19-8-6-17(27)13-15(19)5-7-21(20)22(24)9-10-23(24)26-30(28,29)18-4-2-3-16(25)14-18/h2-4,6,8,13-14,20-23,26-27H,5,7,9-12H2,1H3/t20-,21-,22+,23+,24+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase using 4-methylumbelliferyl sulfate as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem 20: 1535-44 (2012) Article DOI: 10.1016/j.bmc.2011.12.036 BindingDB Entry DOI: 10.7270/Q2CJ8DZ3
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50355362 (CHEMBL1835544) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4c(F)c(O)ccc34)[C@@H]1CC[C@@]2(O)Cc1ccccc1 |r| Show InChI InChI=1S/C25H29FO2/c1-24-13-11-18-17-9-10-22(27)23(26)20(17)8-7-19(18)21(24)12-14-25(24,28)15-16-5-3-2-4-6-16/h2-6,9-10,18-19,21,27-28H,7-8,11-15H2,1H3/t18-,19-,21+,24+,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of human steroid sulfatase using 4-methylumbelliferyl sulfate substrate after 10 mins by fluorescence assay				Bioorg Med Chem 19: 5999-6005 (2011) Article DOI: 10.1016/j.bmc.2011.08.046 BindingDB Entry DOI: 10.7270/Q2FX79VJ
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50134333 (CHEMBL331089 | Phenyl-acetic acid (1R,3R,5S)-8-(3,...) Show SMILES FC(F)(F)c1cc(cc(c1)S(=O)(=O)NC(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)Cc1ccccc1)C(F)(F)F |THB:14:16:23.21.22:18.19| Show InChI InChI=1S/C24H22F6N2O5S/c25-23(26,27)15-9-16(24(28,29)30)11-20(10-15)38(35,36)31-22(34)32-17-6-7-18(32)13-19(12-17)37-21(33)8-14-4-2-1-3-5-14/h1-5,9-11,17-19H,6-8,12-13H2,(H,31,34)/t17-,18+,19+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Research Institute Vienna Curated by ChEMBL					Assay Description Inhibitory activity against Steroid sulfatase expressed in CHO cells				Bioorg Med Chem Lett 13: 3673-7 (2003) BindingDB Entry DOI: 10.7270/Q27S7N5G
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50134333 (CHEMBL331089 | Phenyl-acetic acid (1R,3R,5S)-8-(3,...) Show SMILES FC(F)(F)c1cc(cc(c1)S(=O)(=O)NC(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)Cc1ccccc1)C(F)(F)F |THB:14:16:23.21.22:18.19| Show InChI InChI=1S/C24H22F6N2O5S/c25-23(26,27)15-9-16(24(28,29)30)11-20(10-15)38(35,36)31-22(34)32-17-6-7-18(32)13-19(12-17)37-21(33)8-14-4-2-1-3-5-14/h1-5,9-11,17-19H,6-8,12-13H2,(H,31,34)/t17-,18+,19+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibitory constant against human steroid sulfatase				Bioorg Med Chem Lett 15: 1235-8 (2005) Article DOI: 10.1016/j.bmcl.2004.11.069 BindingDB Entry DOI: 10.7270/Q2RF5THG
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50355360 (CHEMBL1835425) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4c(C=O)c(O)ccc34)[C@@H]1CC[C@@]2(O)Cc1ccccc1 |r| Show InChI InChI=1S/C26H30O3/c1-25-13-11-20-18-9-10-24(28)22(16-27)19(18)7-8-21(20)23(25)12-14-26(25,29)15-17-5-3-2-4-6-17/h2-6,9-10,16,20-21,23,28-29H,7-8,11-15H2,1H3/t20-,21-,23+,25+,26-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of human steroid sulfatase using 4-methylumbelliferyl sulfate substrate after 5 mins by Kitz-Wilson plot analysis				Bioorg Med Chem 19: 5999-6005 (2011) Article DOI: 10.1016/j.bmc.2011.08.046 BindingDB Entry DOI: 10.7270/Q2FX79VJ
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50355362 (CHEMBL1835544) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4c(F)c(O)ccc34)[C@@H]1CC[C@@]2(O)Cc1ccccc1 |r| Show InChI InChI=1S/C25H29FO2/c1-24-13-11-18-17-9-10-22(27)23(26)20(17)8-7-19(18)21(24)12-14-25(24,28)15-16-5-3-2-4-6-16/h2-6,9-10,18-19,21,27-28H,7-8,11-15H2,1H3/t18-,19-,21+,24+,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Mixed type inhibition of human steroid sulfatase using 4-methylumbelliferyl sulfate substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem 19: 5999-6005 (2011) Article DOI: 10.1016/j.bmc.2011.08.046 BindingDB Entry DOI: 10.7270/Q2FX79VJ
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50363580 (CHEMBL1945908) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2NS(=O)(=O)c1cccc(Br)c1 |r| Show InChI InChI=1S/C24H28BrNO3S/c1-24-12-11-20-19-8-6-17(27)13-15(19)5-7-21(20)22(24)9-10-23(24)26-30(28,29)18-4-2-3-16(25)14-18/h2-4,6,8,13-14,20-23,26-27H,5,7,9-12H2,1H3/t20-,21-,22+,23+,24+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	108	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Mixed type inhibition of steroid sulfatase using 4-methylumbelliferyl sulfate as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem 20: 1535-44 (2012) Article DOI: 10.1016/j.bmc.2011.12.036 BindingDB Entry DOI: 10.7270/Q2CJ8DZ3
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50135162 (CHEMBL147705 | Sulfamic acid 2-adamantan-1-yl-4-ox...) Show SMILES NS(=O)(=O)Oc1ccc2oc(cc(=O)c2c1)C12CC3CC(CC(C3)C1)C2 |TLB:23:18:25:24.22.21,23:22:25:17.18.19,THB:21:20:17:24.22.23,21:22:17:25.20.19| Show InChI InChI=1S/C19H21NO5S/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/h1-2,6-7,11-13H,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 Similars	Article PubMed	190	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))	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	Article PubMed	210	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))	BDBM50161124 (4-(3,5-Bis-trifluoromethyl-benzenesulfonylaminocar...) Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NS(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C19H22F6N2O5S/c1-17(2,3)32-16(29)27-6-4-11(5-7-27)15(28)26-33(30,31)14-9-12(18(20,21)22)8-13(10-14)19(23,24)25/h8-11H,4-7H2,1-3H3,(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibitory constant against human steroid sulfatase				Bioorg Med Chem Lett 15: 1235-8 (2005) Article DOI: 10.1016/j.bmcl.2004.11.069 BindingDB Entry DOI: 10.7270/Q2RF5THG
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50168215 (CHEMBL3804916) Show SMILES [H][C@@]12CC[C@@](O)(Cc3ccccc3)[C@@]1(C)CC[C@]1([H])c3ccc(cc3CC[C@@]21[H])B(O)O |r| Show InChI InChI=1S/C25H31BO3/c1-24-13-11-21-20-10-8-19(26(28)29)15-18(20)7-9-22(21)23(24)12-14-25(24,27)16-17-5-3-2-4-6-17/h2-6,8,10,15,21-23,27-29H,7,9,11-14,16H2,1H3/t21-,22-,23+,24+,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Punjabi University Curated by ChEMBL					Assay Description Reversible inhibition of human estrone sulfatase 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))	BDBM50355372 (CHEMBL482212) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)Cc1ccccc1 Show InChI InChI=1S/C25H30O2/c1-24-13-11-21-20-10-8-19(26)15-18(20)7-9-22(21)23(24)12-14-25(24,27)16-17-5-3-2-4-6-17/h2-6,8,10,15,21-23,26-27H,7,9,11-14,16H2,1H3/t21-,22-,23+,24+,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of human steroid sulfatase using 4-methylumbelliferyl sulfate substrate after 10 mins by fluorescence assay				Bioorg Med Chem 19: 5999-6005 (2011) Article DOI: 10.1016/j.bmc.2011.08.046 BindingDB Entry DOI: 10.7270/Q2FX79VJ
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50112876 (3-((N-cyclohexyl-aminocarbonoyl)hydrazono]methyl)-...) Show SMILES COc1c2CCc3cc(C=NNC(=O)NC4CCCCC4)c(C(O)=O)c(O)c3-c2c(O)c2C(=O)c3cc(O)c(C)c(O)c3C(=O)c12 |w:10.10| Show InChI InChI=1S/C33H31N3O10/c1-13-19(37)11-18-23(26(13)38)30(42)25-24(27(18)39)29(41)22-17(31(25)46-2)9-8-14-10-15(21(32(43)44)28(40)20(14)22)12-34-36-33(45)35-16-6-4-3-5-7-16/h10-12,16,37-38,40-41H,3-9H2,1-2H3,(H,43,44)(H2,35,36,45)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Punjabi University Curated by ChEMBL					Assay Description Non-competitive inhibition of human placental microsomal estrone sulfatase using [3H]E1S as substrate incubated for 20 mins by Lineweaver-Burk plot a...				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))	BDBM50525262 (CHEMBL4444347) Show SMILES COc1c2CCc3cc(\C=N\NC(=S)NC4CCCCC4)c(C(O)=O)c(O)c3-c2c(O)c2C(=O)c3cc(O)c(C)cc3C(=O)c12 Show InChI InChI=1S/C33H31N3O8S/c1-14-10-19-20(12-21(14)37)27(38)25-26(28(19)39)31(44-2)18-9-8-15-11-16(13-34-36-33(45)35-17-6-4-3-5-7-17)23(32(42)43)29(40)22(15)24(18)30(25)41/h10-13,17,37,40-41H,3-9H2,1-2H3,(H,42,43)(H2,35,36,45)/b34-13+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (BHU) Curated by ChEMBL					Assay Description Inhibition of sulfatase (unknown origin) using [3H]E1S as substrate after 20 mins by scintillation counting method				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))	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	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Forschungsinstitut Curated by ChEMBL					Assay Description Inhibitory constant against human steroid sulfatase in CHO cells				Bioorg Med Chem Lett 13: 4313-6 (2003) BindingDB Entry DOI: 10.7270/Q28S4QGH
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50151142 (2-Adamantan-1-yl-4-oxo-4H-chromene-6-carboxylic ac...) Show SMILES OC(=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/C20H20O4/c21-16-7-18(24-17-2-1-14(19(22)23)6-15(16)17)20-8-11-3-12(9-20)5-13(4-11)10-20/h1-2,6-7,11-13H,3-5,8-10H2,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	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))	BDBM50151137 (2-Adamantan-1-yl-4-oxo-4H-thiochromene-6-carboxyli...) Show SMILES OC(=O)c1ccc2sc(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/C20H20O3S/c21-16-7-18(24-17-2-1-14(19(22)23)6-15(16)17)20-8-11-3-12(9-20)5-13(4-11)10-20/h1-2,6-7,11-13H,3-5,8-10H2,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Punjabi University Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human estrone sulfatase using 4-methylumbelliferyl sulfate as substrate by Hanes plot analysis				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))	BDBM50151137 (2-Adamantan-1-yl-4-oxo-4H-thiochromene-6-carboxyli...) Show SMILES OC(=O)c1ccc2sc(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/C20H20O3S/c21-16-7-18(24-17-2-1-14(19(22)23)6-15(16)17)20-8-11-3-12(9-20)5-13(4-11)10-20/h1-2,6-7,11-13H,3-5,8-10H2,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	530	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))	BDBM50134332 (CHEMBL332811 | Phenyl-acetic acid (1R,3R,5S)-8-(4-...) Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)NC(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)Cc1ccccc1 |THB:14:16:21.23.22:19.18| Show InChI InChI=1S/C23H23F3N2O5S/c24-23(25,26)16-6-10-20(11-7-16)34(31,32)27-22(30)28-17-8-9-18(28)14-19(13-17)33-21(29)12-15-4-2-1-3-5-15/h1-7,10-11,17-19H,8-9,12-14H2,(H,27,30)/t17-,18+,19+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Research Institute Vienna Curated by ChEMBL					Assay Description Inhibitory constant against purified human Steroid sulfatase				Bioorg Med Chem Lett 13: 3673-7 (2003) BindingDB Entry DOI: 10.7270/Q27S7N5G
					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	Article PubMed	670	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))	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	670	n/a	n/a	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				Bioorg Med Chem Lett 13: 3673-7 (2003) BindingDB Entry DOI: 10.7270/Q27S7N5G
					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	Article PubMed	670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibitory constant against human steroid sulfatase				Bioorg Med Chem Lett 15: 1235-8 (2005) Article DOI: 10.1016/j.bmcl.2004.11.069 BindingDB Entry DOI: 10.7270/Q2RF5THG
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50134335 (8-[N-(4-chlorophenylsulfonamido)-carbonyl amino]-8...) Show SMILES Clc1ccc(cc1)S(=O)(=O)NC(=O)NN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)Cc1ccccc1 |THB:13:14:20.19.21:16.17| Show InChI InChI=1S/C22H24ClN3O5S/c23-16-6-10-20(11-7-16)32(29,30)25-22(28)24-26-17-8-9-18(26)14-19(13-17)31-21(27)12-15-4-2-1-3-5-15/h1-7,10-11,17-19H,8-9,12-14H2,(H2,24,25,28)/t17-,18+,19+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Research Institute Vienna Curated by ChEMBL					Assay Description Inhibitory activity against Steroid sulfatase expressed in CHO cells				Bioorg Med Chem Lett 13: 3673-7 (2003) BindingDB Entry DOI: 10.7270/Q27S7N5G
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50168258 (CHEMBL3805369) Show SMILES [H][C@]12CC[C@]([H])(CC(C1)C(=O)OCc1ccccc1)N2NC(=O)NS(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H24ClN3O5S/c23-17-6-10-20(11-7-17)32(29,30)25-22(28)24-26-18-8-9-19(26)13-16(12-18)21(27)31-14-15-4-2-1-3-5-15/h1-7,10-11,16,18-19H,8-9,12-14H2,(H2,24,25,28)/t16?,18-,19+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	890	n/a	n/a	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 Hanes plot analysis				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))	BDBM50355361 (CHEMBL1835541) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4c3ccc(O)c4[N+]([O-])=O)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C18H21NO4/c1-18-9-8-11-10-4-6-15(20)17(19(22)23)13(10)3-2-12(11)14(18)5-7-16(18)21/h4,6,11-12,14,20H,2-3,5,7-9H2,1H3/t11-,12-,14+,18+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Non-Competitive inhibition of human steroid sulfatase using 4-methylumbelliferyl sulfate substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem 19: 5999-6005 (2011) Article DOI: 10.1016/j.bmc.2011.08.046 BindingDB Entry DOI: 10.7270/Q2FX79VJ
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50355363 (CHEMBL1835424) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4c3ccc(O)c4C=O)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C19H22O3/c1-19-9-8-13-11-4-6-17(21)15(10-20)12(11)2-3-14(13)16(19)5-7-18(19)22/h4,6,10,13-14,16,21H,2-3,5,7-9H2,1H3/t13-,14-,16+,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Reversible inhibition of human steroid sulfatase using 4-methylumbelliferyl sulfate substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem 19: 5999-6005 (2011) Article DOI: 10.1016/j.bmc.2011.08.046 BindingDB Entry DOI: 10.7270/Q2FX79VJ
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50355363 (CHEMBL1835424) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4c3ccc(O)c4C=O)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C19H22O3/c1-19-9-8-13-11-4-6-17(21)15(10-20)12(11)2-3-14(13)16(19)5-7-18(19)22/h4,6,10,13-14,16,21H,2-3,5,7-9H2,1H3/t13-,14-,16+,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of human steroid sulfatase using 4-methylumbelliferyl sulfate substrate after 5 mins by Kitz-Wilson plot analysis				Bioorg Med Chem 19: 5999-6005 (2011) Article DOI: 10.1016/j.bmc.2011.08.046 BindingDB Entry DOI: 10.7270/Q2FX79VJ
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50134325 (CHEMBL440159 | Phenyl-acetic acid (1R,3R,5S)-8-(4-...) Show SMILES Brc1ccc(cc1)S(=O)(=O)NC(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)Cc1ccccc1 |THB:11:13:20.18.19:15.16| Show InChI InChI=1S/C22H23BrN2O5S/c23-16-6-10-20(11-7-16)31(28,29)24-22(27)25-17-8-9-18(25)14-19(13-17)30-21(26)12-15-4-2-1-3-5-15/h1-7,10-11,17-19H,8-9,12-14H2,(H,24,27)/t17-,18+,19+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.85E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Research Institute Vienna Curated by ChEMBL					Assay Description Inhibitory activity against Steroid sulfatase expressed in CHO cells				Bioorg Med Chem Lett 13: 3673-7 (2003) BindingDB Entry DOI: 10.7270/Q27S7N5G
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50151135 ((2-Adamantan-1-yl-4-oxo-4H-chromen-6-yl)-oxo-aceti...) Show SMILES OC(=O)C(=O)c1ccc2oc(cc(=O)c2c1)C12CC3CC(CC(C3)C1)C2 |TLB:23:22:25:17.18.19,23:18:25:24.22.21,19:20:24:17.18.23,THB:19:18:24:25.20.21| Show InChI InChI=1S/C21H20O5/c22-16-7-18(21-8-11-3-12(9-21)5-13(4-11)10-21)26-17-2-1-14(6-15(16)17)19(23)20(24)25/h1-2,6-7,11-13H,3-5,8-10H2,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20E+3	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))	BDBM50134328 (CHEMBL124349 | Phenyl-acetic acid (1R,3R,5S)-8-(4-...) Show SMILES Clc1ccc(cc1)S(=O)(=O)NC(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)Cc1ccccc1 |THB:11:13:20.18.19:15.16| Show InChI InChI=1S/C22H23ClN2O5S/c23-16-6-10-20(11-7-16)31(28,29)24-22(27)25-17-8-9-18(25)14-19(13-17)30-21(26)12-15-4-2-1-3-5-15/h1-7,10-11,17-19H,8-9,12-14H2,(H,24,27)/t17-,18+,19+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Research Institute Vienna Curated by ChEMBL					Assay Description Inhibitory activity against Steroid sulfatase expressed in CHO cells				Bioorg Med Chem Lett 13: 3673-7 (2003) BindingDB Entry DOI: 10.7270/Q27S7N5G
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50134328 (CHEMBL124349 | Phenyl-acetic acid (1R,3R,5S)-8-(4-...) Show SMILES Clc1ccc(cc1)S(=O)(=O)NC(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)Cc1ccccc1 |THB:11:13:20.18.19:15.16| Show InChI InChI=1S/C22H23ClN2O5S/c23-16-6-10-20(11-7-16)31(28,29)24-22(27)25-17-8-9-18(25)14-19(13-17)30-21(26)12-15-4-2-1-3-5-15/h1-7,10-11,17-19H,8-9,12-14H2,(H,24,27)/t17-,18+,19+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibitory constant against human steroid sulfatase				Bioorg Med Chem Lett 15: 1235-8 (2005) Article DOI: 10.1016/j.bmcl.2004.11.069 BindingDB Entry DOI: 10.7270/Q2RF5THG
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50168216 (CHEMBL3806006) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(cc3CC[C@@]21[H])B(O)O |r| Show InChI InChI=1S/C18H23BO3/c1-18-9-8-14-13-5-3-12(19(21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,21-22H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Punjabi University Curated by ChEMBL					Assay Description Reversible inhibition of human estrone sulfatase 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))	BDBM50151140 (2-Adamantan-1-yl-6-(2-hydroxy-acetyl)-chromen-4-on...) Show SMILES OCC(=O)c1ccc2oc(cc(=O)c2c1)C12CC3CC(CC(C3)C1)C2 |TLB:22:21:24:16.17.18,22:17:24:23.21.20,18:19:23:16.17.22,THB:18:17:23:24.19.20| Show InChI InChI=1S/C21H22O4/c22-11-18(24)15-1-2-19-16(6-15)17(23)7-20(25-19)21-8-12-3-13(9-21)5-14(4-12)10-21/h1-2,6-7,12-14,22H,3-5,8-11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20E+3	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))	BDBM50134337 (CHEMBL121068 | Phenyl-acetic acid (1R,3R,5S)-8-(4-...) Show SMILES Clc1ccc(cc1)C(=O)NC(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)Cc1ccccc1 |THB:10:12:19.17.18:15.14| Show InChI InChI=1S/C23H23ClN2O4/c24-17-8-6-16(7-9-17)22(28)25-23(29)26-18-10-11-19(26)14-20(13-18)30-21(27)12-15-4-2-1-3-5-15/h1-9,18-20H,10-14H2,(H,25,28,29)/t18-,19+,20+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Research Institute Vienna Curated by ChEMBL					Assay Description Inhibitory constant against purified human Steroid sulfatase				Bioorg Med Chem Lett 13: 3673-7 (2003) BindingDB Entry DOI: 10.7270/Q27S7N5G
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50136297 (CHEMBL136112 | Sulfamic acid 2-adamantan-2-ylidene...) Show SMILES NS(=O)(=O)Oc1ccc2nc(C=C3C4CC5CC(C4)CC3C5)oc2c1 |TLB:21:20:18:15.14.16,THB:21:15:12.20.19:18,16:15:12:17.19.18,16:17:12:15.14.21,11:12:18:15.14.16,(-1.25,-4.19,;.08,-3.42,;-.69,-2.08,;.85,-2.08,;1.41,-4.19,;2.76,-3.42,;2.76,-1.87,;4.09,-1.1,;5.42,-1.86,;6.91,-1.38,;7.82,-2.63,;9.36,-2.63,;10.13,-1.29,;9.45,.09,;10.55,1.03,;11.96,1.18,;12.47,2.87,;11.3,1.82,;9.8,1.7,;12.03,.4,;11.65,-1.18,;12.63,-.14,;6.91,-3.9,;5.42,-3.42,;4.09,-4.19,)| Show InChI InChI=1S/C18H20N2O4S/c19-25(21,22)24-14-1-2-16-17(8-14)23-18(20-16)9-15-12-4-10-3-11(6-12)7-13(15)5-10/h1-2,8-13H,3-7H2,(H2,19,21,22)/b15-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Forschungsinstitut Curated by ChEMBL					Assay Description Inhibitory constant against human steroid sulfatase in CHO cells				Bioorg Med Chem Lett 13: 4313-6 (2003) BindingDB Entry DOI: 10.7270/Q28S4QGH
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50161118 (4-(4-Chloro-benzenesulfonylaminocarbonyl)-piperazi...) Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C16H22ClN3O5S/c1-16(2,3)25-15(22)20-10-8-19(9-11-20)14(21)18-26(23,24)13-6-4-12(17)5-7-13/h4-7H,8-11H2,1-3H3,(H,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibitory constant against human steroid sulfatase				Bioorg Med Chem Lett 15: 1235-8 (2005) Article DOI: 10.1016/j.bmcl.2004.11.069 BindingDB Entry DOI: 10.7270/Q2RF5THG
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50366322 (CHEMBL2367489) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O[P@@](C)(S)=O)cc3CC[C@@]21[H] |r| Show InChI InChI=1S/C19H25O3PS/c1-19-10-9-15-14-6-4-13(22-23(2,21)24)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-17H,3,5,7-10H2,1-2H3,(H,21,24)/t15-,16-,17+,19+,23+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against estrone sulfatase in placental preparation				Bioorg Med Chem Lett 3: 313-318 (1993) Article DOI: 10.1016/S0960-894X(01)80900-8 BindingDB Entry DOI: 10.7270/Q2K074R2
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50223216 (CHEMBL3348562) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(cc3CC[C@@]21[H])C(F)(F)C1N=NN=N1 |c:30,32| Show InChI InChI=1S/C20H22F2N4O/c1-19-9-8-14-13-5-3-12(20(21,22)18-23-25-26-24-18)10-11(13)2-4-15(14)16(19)6-7-17(19)27/h3,5,10,14-16,18H,2,4,6-9H2,1H3/t14-,15-,16+,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibitory activity against steroid sulfatase (STS)				Bioorg Med Chem Lett 14: 151-5 (2003) BindingDB Entry DOI: 10.7270/Q28K79NV
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50161119 (4-(4-Chloro-benzenesulfonylaminocarbonyl)-piperidi...) Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C17H23ClN2O5S/c1-17(2,3)25-16(22)20-10-8-12(9-11-20)15(21)19-26(23,24)14-6-4-13(18)5-7-14/h4-7,12H,8-11H2,1-3H3,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.61E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibitory constant against human steroid sulfatase				Bioorg Med Chem Lett 15: 1235-8 (2005) Article DOI: 10.1016/j.bmcl.2004.11.069 BindingDB Entry DOI: 10.7270/Q2RF5THG
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50151134 (2-Adamantan-1-yl-4-oxo-4H-chromene-6-carbaldehyde ...) Show SMILES O=Cc1ccc2oc(cc(=O)c2c1)C12CC3CC(CC(C3)C1)C2 |TLB:16:17:21:14.15.20,THB:16:15:21:22.17.18,18:17:14:21.19.20,18:19:14:22.17.16| Show InChI InChI=1S/C20H20O3/c21-11-12-1-2-18-16(6-12)17(22)7-19(23-18)20-8-13-3-14(9-20)5-15(4-13)10-20/h1-2,6-7,11,13-15H,3-5,8-10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+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))	BDBM50370691 (CHEMBL1628004) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(ccc34)C(F)(F)S(N)(=O)=O)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C19H23F2NO3S/c1-18-9-8-14-13-5-3-12(19(20,21)26(22,24)25)10-11(13)2-4-15(14)16(18)6-7-17(18)23/h3,5,10,14-16H,2,4,6-9H2,1H3,(H2,22,24,25)/t14-,15-,16+,18+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (BHU) Curated by ChEMBL					Assay Description Inhibition of sulfatase (unknown origin)				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))	BDBM50370691 (CHEMBL1628004) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(ccc34)C(F)(F)S(N)(=O)=O)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C19H23F2NO3S/c1-18-9-8-14-13-5-3-12(19(20,21)26(22,24)25)10-11(13)2-4-15(14)16(18)6-7-17(18)23/h3,5,10,14-16H,2,4,6-9H2,1H3,(H2,22,24,25)/t14-,15-,16+,18+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase (unknown origin) at pH 8.8				J Med Chem 61: 5822-5880 (2018) Article DOI: 10.1021/acs.jmedchem.7b01788 BindingDB Entry DOI: 10.7270/Q232008T
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50151141 (2-Adamantan-1-yl-6-hydroxymethyl-chromen-4-one | C...) Show SMILES OCc1ccc2oc(cc(=O)c2c1)C12CC3CC(CC(C3)C1)C2 |TLB:16:17:21:14.15.20,THB:16:15:21:22.17.18,18:17:14:21.19.20,18:19:14:22.17.16| Show InChI InChI=1S/C20H22O3/c21-11-12-1-2-18-16(6-12)17(22)7-19(23-18)20-8-13-3-14(9-20)5-15(4-13)10-20/h1-2,6-7,13-15,21H,3-5,8-11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20E+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))	BDBM50366322 (CHEMBL2367489) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O[P@@](C)(S)=O)cc3CC[C@@]21[H] |r| Show InChI InChI=1S/C19H25O3PS/c1-19-10-9-15-14-6-4-13(22-23(2,21)24)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-17H,3,5,7-10H2,1-2H3,(H,21,24)/t15-,16-,17+,19+,23+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against estrone sulfatase in breast tumor preparations				Bioorg Med Chem Lett 3: 313-318 (1993) Article DOI: 10.1016/S0960-894X(01)80900-8 BindingDB Entry DOI: 10.7270/Q2K074R2
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50073853 (CHEMBL33862 | Sulfamic acid 4-{(E)-1-[4-(2-dimethy...) Show SMILES CC\C(=C(\c1ccc(OCCN(C)C)cc1)c1ccc(OS(N)(=O)=O)cc1)c1ccccc1 Show InChI InChI=1S/C26H30N2O4S/c1-4-25(20-8-6-5-7-9-20)26(22-12-16-24(17-13-22)32-33(27,29)30)21-10-14-23(15-11-21)31-19-18-28(2)3/h5-17H,4,18-19H2,1-3H3,(H2,27,29,30)/b26-25+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.59E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (BHU) Curated by ChEMBL					Assay Description Inhibition of sulfatase (unknown origin)				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))	BDBM50366887 (CHEMBL1627329) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(ccc34)C(F)(F)S(O)(=O)=O)[C@@H]1CCC2C=O |r| Show InChI InChI=1S/C20H24F2O4S/c1-19-9-8-16-15-6-3-13(20(21,22)27(24,25)26)10-12(15)2-5-17(16)18(19)7-4-14(19)11-23/h3,6,10-11,14,16-18H,2,4-5,7-9H2,1H3,(H,24,25,26)/t14?,16-,17-,18+,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibitory activity against steroid sulfatase (STS)				Bioorg Med Chem Lett 14: 151-5 (2003) BindingDB Entry DOI: 10.7270/Q28K79NV
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50151139 (2-Adamantan-1-yl-4-oxo-4H-chromene-6-carboxylic ac...) Show SMILES COC(=O)c1ccc2oc(cc(=O)c2c1)C12CC3CC(CC(C3)C1)C2 |TLB:22:21:24:16.17.18,22:17:24:23.21.20,18:19:23:16.17.22,THB:18:17:23:24.19.20| Show InChI InChI=1S/C21H22O4/c1-24-20(23)15-2-3-18-16(7-15)17(22)8-19(25-18)21-9-12-4-13(10-21)6-14(5-12)11-21/h2-3,7-8,12-14H,4-6,9-11H2,1H3	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

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