Compile Data Set for Download or QSAR

Found 188 hits with Last Name = 'mostafa' and Initial = 'ya'   

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))	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))	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))	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))	BDBM50108126 (CHEMBL3600586) Show SMILES [H][C@@]12CC[C@H](NS(=O)(=O)c3ccc(cc3)C(C)(C)C)[C@@]1(C)CC[C@]1([H])c3ccc(O)c(c3CC[C@@]21[H])[N+]([O-])=O |r| Show InChI InChI=1S/C28H36N2O5S/c1-27(2,3)17-5-7-18(8-6-17)36(34,35)29-25-14-12-23-21-9-10-22-19(20(21)15-16-28(23,25)4)11-13-24(31)26(22)30(32)33/h5-8,11,13,20-21,23,25,29,31H,9-10,12,14-16H2,1-4H3/t20-,21-,23+,25+,28+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description 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))	BDBM50363576 (CHEMBL1945904) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2NS(=O)(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C30H33NO3S/c1-30-18-17-26-25-14-10-23(32)19-22(25)9-13-27(26)28(30)15-16-29(30)31-35(33,34)24-11-7-21(8-12-24)20-5-3-2-4-6-20/h2-8,10-12,14,19,26-29,31-32H,9,13,15-18H2,1H3/t26-,27-,28+,29+,30+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	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 after 10 mins by spectrofluorimeter plate reader				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))	BDBM50363576 (CHEMBL1945904) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2NS(=O)(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C30H33NO3S/c1-30-18-17-26-25-14-10-23(32)19-22(25)9-13-27(26)28(30)15-16-29(30)31-35(33,34)24-11-7-21(8-12-24)20-5-3-2-4-6-20/h2-8,10-12,14,19,26-29,31-32H,9,13,15-18H2,1H3/t26-,27-,28+,29+,30+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description 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))	BDBM50108127 (CHEMBL3600585) 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(c3CC[C@@]21[H])[N+]([O-])=O |r| Show InChI InChI=1S/C25H27F3N2O5S/c1-24-12-11-17-16-7-9-21(31)23(30(32)33)19(16)6-5-18(17)20(24)8-10-22(24)29-36(34,35)15-4-2-3-14(13-15)25(26,27)28/h2-4,7,9,13,17-18,20,22,29,31H,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	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description 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))	BDBM50108128 (CHEMBL3600584) Show SMILES [H][C@@]12CC[C@H](NS(=O)(=O)c3cccc(Br)c3)[C@@]1(C)CC[C@]1([H])c3ccc(O)c(c3CC[C@@]21[H])[N+]([O-])=O |r| Show InChI InChI=1S/C24H27BrN2O5S/c1-24-12-11-17-16-7-9-21(28)23(27(29)30)19(16)6-5-18(17)20(24)8-10-22(24)26-33(31,32)15-4-2-3-14(25)13-15/h2-4,7,9,13,17-18,20,22,26,28H,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	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description 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
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human full-length recombinant HDAC6 preincubated for 5 mins followed by HDAC substrate addition and further incubated for 45 mins by fl...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113569 BindingDB Entry DOI: 10.7270/Q2MS3XJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Steryl-sulfatase (Homo sapiens (Human))	BDBM50363575 (CHEMBL1945903) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C |r| Show InChI InChI=1S/C28H37NO3S/c1-27(2,3)19-6-9-21(10-7-19)33(31,32)29-26-14-13-25-24-11-5-18-17-20(30)8-12-22(18)23(24)15-16-28(25,26)4/h6-10,12,17,23-26,29-30H,5,11,13-16H2,1-4H3/t23-,24-,25+,26+,28+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description 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))	BDBM50363575 (CHEMBL1945903) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C |r| Show InChI InChI=1S/C28H37NO3S/c1-27(2,3)19-6-9-21(10-7-19)33(31,32)29-26-14-13-25-24-11-5-18-17-20(30)8-12-22(18)23(24)15-16-28(25,26)4/h6-10,12,17,23-26,29-30H,5,11,13-16H2,1-4H3/t23-,24-,25+,26+,28+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	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 after 10 mins by spectrofluorimeter plate reader				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))	BDBM50363578 (CHEMBL1945906) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2NS(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C28H31NO3S/c1-28-15-14-24-23-11-8-21(30)16-20(23)7-10-25(24)26(28)12-13-27(28)29-33(31,32)22-9-6-18-4-2-3-5-19(18)17-22/h2-6,8-9,11,16-17,24-27,29-30H,7,10,12-15H2,1H3/t24-,25-,26+,27+,28+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	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 after 10 mins by spectrofluorimeter plate reader				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))	BDBM50363588 (CHEMBL1947221) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2NS(=O)(=O)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C25H28F3NO3S/c1-24-12-11-20-19-8-6-17(30)13-15(19)5-7-21(20)22(24)9-10-23(24)29-33(31,32)18-4-2-3-16(14-18)25(26,27)28/h2-4,6,8,13-14,20-23,29-30H,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	n/a	n/a	23	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 after 10 mins by spectrofluorimeter plate reader				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))	BDBM50363588 (CHEMBL1947221) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2NS(=O)(=O)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C25H28F3NO3S/c1-24-12-11-20-19-8-6-17(30)13-15(19)5-7-21(20)22(24)9-10-23(24)29-33(31,32)18-4-2-3-16(14-18)25(26,27)28/h2-4,6,8,13-14,20-23,29-30H,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	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description 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))	BDBM50363594 (CHEMBL1627429) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)Cc1cccc(Br)c1 Show InChI InChI=1S/C25H29BrO2/c1-24-11-9-21-20-8-6-19(27)14-17(20)5-7-22(21)23(24)10-12-25(24,28)15-16-3-2-4-18(26)13-16/h2-4,6,8,13-14,21-23,27-28H,5,7,9-12,15H2,1H3/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	n/a	n/a	24	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 after 10 mins by spectrofluorimeter plate reader				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))	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	n/a	n/a	25	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 after 10 mins by spectrofluorimeter plate reader				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))	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	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description 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))	BDBM50363572 (CHEMBL1945900) Show SMILES CCCCc1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C |r| Show InChI InChI=1S/C28H37NO3S/c1-3-4-5-19-6-10-22(11-7-19)33(31,32)29-27-15-14-26-25-12-8-20-18-21(30)9-13-23(20)24(25)16-17-28(26,27)2/h6-7,9-11,13,18,24-27,29-30H,3-5,8,12,14-17H2,1-2H3/t24-,25-,26+,27+,28+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	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 after 10 mins by spectrofluorimeter plate reader				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
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human full-length recombinant HDAC3 preincubated for 5 mins followed by HDAC substrate addition and further incubated for 45 mins by fl...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113569 BindingDB Entry DOI: 10.7270/Q2MS3XJM
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50108122 (CHEMBL3600591) Show SMILES [H][C@@]12CC[C@H](NS(=O)(=O)c3ccc(cc3)-c3ccccc3)[C@@]1(C)CC[C@]1([H])c3cc(c(O)cc3CC[C@@]21[H])[N+]([O-])=O |r| Show InChI InChI=1S/C30H32N2O5S/c1-30-16-15-23-24(12-9-21-17-28(33)27(32(34)35)18-25(21)23)26(30)13-14-29(30)31-38(36,37)22-10-7-20(8-11-22)19-5-3-2-4-6-19/h2-8,10-11,17-18,23-24,26,29,31,33H,9,12-16H2,1H3/t23-,24+,26-,29-,30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description 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
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human full-length recombinant HDAC2 preincubated for 5 mins followed by HDAC substrate addition and further incubated for 45 mins by fl...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113569 BindingDB Entry DOI: 10.7270/Q2MS3XJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Steryl-sulfatase (Homo sapiens (Human))	BDBM50363595 (CHEMBL1947227) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)Cc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C31H34O2/c1-30-17-15-27-26-14-12-25(32)19-24(26)11-13-28(27)29(30)16-18-31(30,33)20-21-7-9-23(10-8-21)22-5-3-2-4-6-22/h2-10,12,14,19,27-29,32-33H,11,13,15-18,20H2,1H3/t27-,28-,29+,30+,31-/m1/s1	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 Waterloo Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase using 4-methylumbelliferyl sulfate as substrate after 10 mins by spectrofluorimeter plate reader				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))	BDBM50363577 (CHEMBL1945905) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C30H33NO4S/c1-30-18-17-26-25-14-8-21(32)19-20(25)7-13-27(26)28(30)15-16-29(30)31-36(33,34)24-11-9-23(10-12-24)35-22-5-3-2-4-6-22/h2-6,8-12,14,19,26-29,31-32H,7,13,15-18H2,1H3/t26-,27-,28+,29+,30+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	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 after 10 mins by spectrofluorimeter plate reader				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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human full-length recombinant HDAC1 preincubated for 5 mins followed by HDAC substrate addition and further incubated for 45 mins by fl...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113569 BindingDB Entry DOI: 10.7270/Q2MS3XJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Steryl-sulfatase (Homo sapiens (Human))	BDBM50363571 (CHEMBL1945899) Show SMILES CCCc1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C |r| Show InChI InChI=1S/C27H35NO3S/c1-3-4-18-5-9-21(10-6-18)32(30,31)28-26-14-13-25-24-11-7-19-17-20(29)8-12-22(19)23(24)15-16-27(25,26)2/h5-6,8-10,12,17,23-26,28-29H,3-4,7,11,13-16H2,1-2H3/t23-,24-,25+,26+,27+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	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 after 10 mins by spectrofluorimeter plate reader				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))	BDBM50108121 (CHEMBL3600592) 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(Br)c3CC[C@@]21[H] |r| Show InChI InChI=1S/C25H27BrF3NO3S/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	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description 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))	BDBM50108125 (CHEMBL3600588) Show SMILES [H][C@@]12CC[C@H](NS(=O)(=O)c3cccc(Br)c3)[C@@]1(C)CC[C@]1([H])c3cc(c(O)cc3CC[C@@]21[H])[N+]([O-])=O |r| Show InChI InChI=1S/C24H27BrN2O5S/c1-24-10-9-17-18(6-5-14-11-22(28)21(27(29)30)13-19(14)17)20(24)7-8-23(24)26-33(31,32)16-4-2-3-15(25)12-16/h2-4,11-13,17-18,20,23,26,28H,5-10H2,1H3/t17-,18+,20-,23-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description 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))	BDBM50363573 (CHEMBL1945901) Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C |r| Show InChI InChI=1S/C29H39NO3S/c1-3-4-5-6-20-7-11-23(12-8-20)34(32,33)30-28-16-15-27-26-13-9-21-19-22(31)10-14-24(21)25(26)17-18-29(27,28)2/h7-8,10-12,14,19,25-28,30-31H,3-6,9,13,15-18H2,1-2H3/t25-,26-,27+,28+,29+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	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 after 10 mins by spectrofluorimeter plate reader				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))	BDBM50363574 (CHEMBL1945902) Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C |r| Show InChI InChI=1S/C27H35NO3S/c1-17(2)18-4-8-21(9-5-18)32(30,31)28-26-13-12-25-24-10-6-19-16-20(29)7-11-22(19)23(24)14-15-27(25,26)3/h4-5,7-9,11,16-17,23-26,28-29H,6,10,12-15H2,1-3H3/t23-,24-,25+,26+,27+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	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 after 10 mins by spectrofluorimeter plate reader				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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human full-length recombinant HDAC1 preincubated for 5 mins followed by HDAC substrate addition and further incubated for 45 mins by fl...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113569 BindingDB Entry DOI: 10.7270/Q2MS3XJM
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50363590 (CHEMBL1947223) Show SMILES Cc1cccc(c1)S(=O)(=O)N[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C |r| Show InChI InChI=1S/C25H31NO3S/c1-16-4-3-5-19(14-16)30(28,29)26-24-11-10-23-22-8-6-17-15-18(27)7-9-20(17)21(22)12-13-25(23,24)2/h3-5,7,9,14-15,21-24,26-27H,6,8,10-13H2,1-2H3/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	n/a	n/a	65	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 after 10 mins by spectrofluorimeter plate reader				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))	BDBM50108124 (CHEMBL3600589) Show SMILES [H][C@@]12CC[C@H](NS(=O)(=O)c3cccc(c3)C(F)(F)F)[C@@]1(C)CC[C@]1([H])c3cc(c(O)cc3CC[C@@]21[H])[N+]([O-])=O |r| Show InChI InChI=1S/C25H27F3N2O5S/c1-24-10-9-17-18(6-5-14-11-22(31)21(30(32)33)13-19(14)17)20(24)7-8-23(24)29-36(34,35)16-4-2-3-15(12-16)25(26,27)28/h2-4,11-13,17-18,20,23,29,31H,5-10H2,1H3/t17-,18+,20-,23-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description 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))	BDBM50363582 (CHEMBL1945910) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2NS(=O)(=O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C24H28ClNO3S/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	n/a	n/a	67	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 after 10 mins by spectrofluorimeter plate reader				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))	BDBM50363589 (CHEMBL1947222) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2NS(=O)(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C25H28F3NO3S/c1-24-13-12-20-19-9-5-17(30)14-15(19)2-8-21(20)22(24)10-11-23(24)29-33(31,32)18-6-3-16(4-7-18)25(26,27)28/h3-7,9,14,20-23,29-30H,2,8,10-13H2,1H3/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	n/a	n/a	73	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 after 10 mins by spectrofluorimeter plate reader				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))	BDBM50363592 (CHEMBL1947225) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2NS(=O)(=O)c1cccc(OC(F)(F)F)c1 |r| Show InChI InChI=1S/C25H28F3NO4S/c1-24-12-11-20-19-8-6-16(30)13-15(19)5-7-21(20)22(24)9-10-23(24)29-34(31,32)18-4-2-3-17(14-18)33-25(26,27)28/h2-4,6,8,13-14,20-23,29-30H,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	n/a	n/a	74	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 after 10 mins by spectrofluorimeter plate reader				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))	BDBM50108123 (CHEMBL3600590) Show SMILES [H][C@@]12CC[C@H](NS(=O)(=O)c3ccc(cc3)C(C)(C)C)[C@@]1(C)CC[C@]1([H])c3cc(c(O)cc3CC[C@@]21[H])[N+]([O-])=O |r| Show InChI InChI=1S/C28H36N2O5S/c1-27(2,3)18-6-8-19(9-7-18)36(34,35)29-26-12-11-23-21-10-5-17-15-25(31)24(30(32)33)16-22(17)20(21)13-14-28(23,26)4/h6-9,15-16,20-21,23,26,29,31H,5,10-14H2,1-4H3/t20-,21+,23-,26-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description 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))	BDBM50363584 (CHEMBL1945912) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2NS(=O)(=O)c1cccc(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C24H28N2O5S/c1-24-12-11-20-19-8-6-17(27)13-15(19)5-7-21(20)22(24)9-10-23(24)25-32(30,31)18-4-2-3-16(14-18)26(28)29/h2-4,6,8,13-14,20-23,25,27H,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	Article PubMed	n/a	n/a	90	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 after 10 mins by spectrofluorimeter plate reader				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
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50571763 (CHEMBL4857970) Show SMILES Cn1c(SCCCCCC(=O)NO)nnc1-c1ccncc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human full-length recombinant HDAC2 preincubated for 5 mins followed by HDAC substrate addition and further incubated for 45 mins by fl...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113569 BindingDB Entry DOI: 10.7270/Q2MS3XJM
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50108120 (CHEMBL3600593) Show SMILES [H][C@@]12CC[C@H](NS(=O)(=O)c3cccc(c3)C(F)(F)F)[C@@]1(C)CC[C@]1([H])c3cc(Br)c(O)cc3CC[C@@]21[H] |r| Show InChI InChI=1S/C25H27BrF3NO3S/c1-24-10-9-17-18(6-5-14-11-22(31)21(26)13-19(14)17)20(24)7-8-23(24)30-34(32,33)16-4-2-3-15(12-16)25(27,28)29/h2-4,11-13,17-18,20,23,30-31H,5-10H2,1H3/t17-,18+,20-,23-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description 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
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human full-length recombinant HDAC2 preincubated for 5 mins followed by HDAC substrate addition and further incubated for 45 mins by fl...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113569 BindingDB Entry DOI: 10.7270/Q2MS3XJM
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50363586 (CHEMBL1947219) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2NS(=O)(=O)c1cccc(F)c1 |r| Show InChI InChI=1S/C24H28FNO3S/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	n/a	n/a	112	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 after 10 mins by spectrofluorimeter plate reader				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))	BDBM50363596 (CHEMBL1947228) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)Cc1ccc2ccccc2c1 |r| Show InChI InChI=1S/C29H32O2/c1-28-14-12-25-24-11-9-23(30)17-22(24)8-10-26(25)27(28)13-15-29(28,31)18-19-6-7-20-4-2-3-5-21(20)16-19/h2-7,9,11,16-17,25-27,30-31H,8,10,12-15,18H2,1H3/t25-,26-,27+,28+,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	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 after 10 mins by spectrofluorimeter plate reader				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))	BDBM50363597 (CHEMBL1823787) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)Cc1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H29F3O2/c1-24-11-9-21-20-8-6-19(30)14-17(20)5-7-22(21)23(24)10-12-25(24,31)15-16-3-2-4-18(13-16)26(27,28)29/h2-4,6,8,13-14,21-23,30-31H,5,7,9-12,15H2,1H3/t21-,22-,23+,24+,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of STS isolated from human JEG-3 cell homogenates using [3H]-E1S as substrate				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))	BDBM50363597 (CHEMBL1823787) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)Cc1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H29F3O2/c1-24-11-9-21-20-8-6-19(30)14-17(20)5-7-22(21)23(24)10-12-25(24,31)15-16-3-2-4-18(13-16)26(27,28)29/h2-4,6,8,13-14,21-23,30-31H,5,7,9-12,15H2,1H3/t21-,22-,23+,24+,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	126	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 after 10 mins by spectrofluorimeter plate reader				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))	BDBM50363585 (CHEMBL1945913) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2NS(=O)(=O)c1cccc(c1)C#N |r| Show InChI InChI=1S/C25H28N2O3S/c1-25-12-11-21-20-8-6-18(28)14-17(20)5-7-22(21)23(25)9-10-24(25)27-31(29,30)19-4-2-3-16(13-19)15-26/h2-4,6,8,13-14,21-24,27-28H,5,7,9-12H2,1H3/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	n/a	n/a	137	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 after 10 mins by spectrofluorimeter plate reader				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))	BDBM50363581 (CHEMBL1945909) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2NS(=O)(=O)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C24H28BrNO3S/c1-24-13-12-20-19-9-5-17(27)14-15(19)2-8-21(20)22(24)10-11-23(24)26-30(28,29)18-6-3-16(25)4-7-18/h3-7,9,14,20-23,26-27H,2,8,10-13H2,1H3/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	n/a	n/a	190	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 after 10 mins by spectrofluorimeter plate reader				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))	BDBM50363591 (CHEMBL1947224) Show SMILES COc1cccc(c1)S(=O)(=O)N[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C |r| Show InChI InChI=1S/C25H31NO4S/c1-25-13-12-21-20-9-7-17(27)14-16(20)6-8-22(21)23(25)10-11-24(25)26-31(28,29)19-5-3-4-18(15-19)30-2/h3-5,7,9,14-15,21-24,26-27H,6,8,10-13H2,1-2H3/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	n/a	n/a	193	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 after 10 mins by spectrofluorimeter plate reader				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))	BDBM50363570 (CHEMBL1945898) Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C |r| Show InChI InChI=1S/C25H31NO3S/c1-16-3-7-19(8-4-16)30(28,29)26-24-12-11-23-22-9-5-17-15-18(27)6-10-20(17)21(22)13-14-25(23,24)2/h3-4,6-8,10,15,21-24,26-27H,5,9,11-14H2,1-2H3/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	n/a	n/a	207	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 after 10 mins by spectrofluorimeter plate reader				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
Histone deacetylase 6 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human full-length recombinant HDAC6 preincubated for 5 mins followed by HDAC substrate addition and further incubated for 45 mins by fl...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113569 BindingDB Entry DOI: 10.7270/Q2MS3XJM
					More data for this Ligand-Target Pair

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