Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50039575   

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))	BDBM50380208 (CHEMBL2011408) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4c3ccc(OS(N)(=O)=O)c4[N+]([O-])=O)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C18H22N2O6S/c1-18-9-8-11-10-4-6-15(26-27(19,24)25)17(20(22)23)13(10)3-2-12(11)14(18)5-7-16(18)21/h4,6,11-12,14H,2-3,5,7-9H2,1H3,(H2,19,24,25)/t11-,12-,14+,18+/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	0.0100	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human MCF7 cells using [3H]E1S as substrate after 20 hrs by scintillation spectrometry				Bioorg Med Chem 20: 2506-19 (2012) Article DOI: 10.1016/j.bmc.2012.03.007 BindingDB Entry DOI: 10.7270/Q2XG9S4J
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50380223 (CHEMBL2011422) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)c(cc34)C(F)F)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C19H23F2NO4S/c1-19-7-6-11-12(15(19)4-5-17(19)23)3-2-10-8-16(26-27(22,24)25)14(18(20)21)9-13(10)11/h8-9,11-12,15,18H,2-7H2,1H3,(H2,22,24,25)/t11-,12+,15-,19-/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	0.100	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human placental microsomes using [3H]E1S as substrate after 30 mins by scintillation spectrometry				Bioorg Med Chem 20: 2506-19 (2012) Article DOI: 10.1016/j.bmc.2012.03.007 BindingDB Entry DOI: 10.7270/Q2XG9S4J
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50380216 (CHEMBL364332) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)c(Br)cc34)[C@@H]1CCC2=O Show InChI InChI=1S/C18H22BrNO4S/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(24-25(20,22)23)15(19)9-13(10)11/h8-9,11-12,14H,2-7H2,1H3,(H2,20,22,23)/t11-,12+,14-,18-/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	0.110	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human MCF7 cells using [3H]E1S as substrate after 20 hrs by scintillation spectrometry				Bioorg Med Chem 20: 2506-19 (2012) Article DOI: 10.1016/j.bmc.2012.03.007 BindingDB Entry DOI: 10.7270/Q2XG9S4J
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50380215 (CHEMBL2011415) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)c(Cl)cc34)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C18H22ClNO4S/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(24-25(20,22)23)15(19)9-13(10)11/h8-9,11-12,14H,2-7H2,1H3,(H2,20,22,23)/t11-,12+,14-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human MCF7 cells using [3H]E1S as substrate after 20 hrs by scintillation spectrometry				Bioorg Med Chem 20: 2506-19 (2012) Article DOI: 10.1016/j.bmc.2012.03.007 BindingDB Entry DOI: 10.7270/Q2XG9S4J
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50380214 (CHEMBL2011414) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)c(F)cc34)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C18H22FNO4S/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(24-25(20,22)23)15(19)9-13(10)11/h8-9,11-12,14H,2-7H2,1H3,(H2,20,22,23)/t11-,12+,14-,18-/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	0.620	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human MCF7 cells using [3H]E1S as substrate after 20 hrs by scintillation spectrometry				Bioorg Med Chem 20: 2506-19 (2012) Article DOI: 10.1016/j.bmc.2012.03.007 BindingDB Entry DOI: 10.7270/Q2XG9S4J
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50380208 (CHEMBL2011408) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4c3ccc(OS(N)(=O)=O)c4[N+]([O-])=O)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C18H22N2O6S/c1-18-9-8-11-10-4-6-15(26-27(19,24)25)17(20(22)23)13(10)3-2-12(11)14(18)5-7-16(18)21/h4,6,11-12,14H,2-3,5,7-9H2,1H3,(H2,19,24,25)/t11-,12-,14+,18+/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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human placental microsomes using [3H]E1S as substrate after 30 mins by scintillation spectrometry				Bioorg Med Chem 20: 2506-19 (2012) Article DOI: 10.1016/j.bmc.2012.03.007 BindingDB Entry DOI: 10.7270/Q2XG9S4J
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50380217 (CHEMBL364745) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)c(I)cc34)[C@@H]1CCC2=O Show InChI InChI=1S/C18H22INO4S/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(24-25(20,22)23)15(19)9-13(10)11/h8-9,11-12,14H,2-7H2,1H3,(H2,20,22,23)/t11-,12+,14-,18-/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	0.810	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human MCF7 cells using [3H]E1S as substrate after 20 hrs by scintillation spectrometry				Bioorg Med Chem 20: 2506-19 (2012) Article DOI: 10.1016/j.bmc.2012.03.007 BindingDB Entry DOI: 10.7270/Q2XG9S4J
					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	n/a	n/a	0.830	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human MCF7 cells using [3H]E1S as substrate after 20 hrs by scintillation spectrometry				Bioorg Med Chem 20: 2506-19 (2012) Article DOI: 10.1016/j.bmc.2012.03.007 BindingDB Entry DOI: 10.7270/Q2XG9S4J
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50380218 (CHEMBL2011416) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)c(cc34)C#N)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C19H22N2O4S/c1-19-7-6-13-14(16(19)4-5-18(19)22)3-2-11-9-17(25-26(21,23)24)12(10-20)8-15(11)13/h8-9,13-14,16H,2-7H2,1H3,(H2,21,23,24)/t13-,14+,16-,19-/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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human MCF7 cells using [3H]E1S as substrate after 20 hrs by scintillation spectrometry				Bioorg Med Chem 20: 2506-19 (2012) Article DOI: 10.1016/j.bmc.2012.03.007 BindingDB Entry DOI: 10.7270/Q2XG9S4J
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50380216 (CHEMBL364332) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)c(Br)cc34)[C@@H]1CCC2=O Show InChI InChI=1S/C18H22BrNO4S/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(24-25(20,22)23)15(19)9-13(10)11/h8-9,11-12,14H,2-7H2,1H3,(H2,20,22,23)/t11-,12+,14-,18-/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	1.65	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human placental microsomes using [3H]E1S as substrate after 30 mins by scintillation spectrometry				Bioorg Med Chem 20: 2506-19 (2012) Article DOI: 10.1016/j.bmc.2012.03.007 BindingDB Entry DOI: 10.7270/Q2XG9S4J
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50380215 (CHEMBL2011415) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)c(Cl)cc34)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C18H22ClNO4S/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(24-25(20,22)23)15(19)9-13(10)11/h8-9,11-12,14H,2-7H2,1H3,(H2,20,22,23)/t11-,12+,14-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human placental microsomes using [3H]E1S as substrate after 30 mins by scintillation spectrometry				Bioorg Med Chem 20: 2506-19 (2012) Article DOI: 10.1016/j.bmc.2012.03.007 BindingDB Entry DOI: 10.7270/Q2XG9S4J
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50380218 (CHEMBL2011416) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)c(cc34)C#N)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C19H22N2O4S/c1-19-7-6-13-14(16(19)4-5-18(19)22)3-2-11-9-17(25-26(21,23)24)12(10-20)8-15(11)13/h8-9,13-14,16H,2-7H2,1H3,(H2,21,23,24)/t13-,14+,16-,19-/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	5.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human placental microsomes using [3H]E1S as substrate after 30 mins by scintillation spectrometry				Bioorg Med Chem 20: 2506-19 (2012) Article DOI: 10.1016/j.bmc.2012.03.007 BindingDB Entry DOI: 10.7270/Q2XG9S4J
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50380214 (CHEMBL2011414) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)c(F)cc34)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C18H22FNO4S/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(24-25(20,22)23)15(19)9-13(10)11/h8-9,11-12,14H,2-7H2,1H3,(H2,20,22,23)/t11-,12+,14-,18-/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	5.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human placental microsomes using [3H]E1S as substrate after 30 mins by scintillation spectrometry				Bioorg Med Chem 20: 2506-19 (2012) Article DOI: 10.1016/j.bmc.2012.03.007 BindingDB Entry DOI: 10.7270/Q2XG9S4J
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50380217 (CHEMBL364745) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)c(I)cc34)[C@@H]1CCC2=O Show InChI InChI=1S/C18H22INO4S/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(24-25(20,22)23)15(19)9-13(10)11/h8-9,11-12,14H,2-7H2,1H3,(H2,20,22,23)/t11-,12+,14-,18-/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	6.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human placental microsomes using [3H]E1S as substrate after 30 mins by scintillation spectrometry				Bioorg Med Chem 20: 2506-19 (2012) Article DOI: 10.1016/j.bmc.2012.03.007 BindingDB Entry DOI: 10.7270/Q2XG9S4J
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50380207 (CHEMBL2011407) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)c(cc34)[N+]([O-])=O)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C18H22N2O6S/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(26-27(19,24)25)15(20(22)23)9-13(10)11/h8-9,11-12,14H,2-7H2,1H3,(H2,19,24,25)/t11-,12+,14-,18-/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	8.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human MCF7 cells using [3H]E1S as substrate after 20 hrs by scintillation spectrometry				Bioorg Med Chem 20: 2506-19 (2012) Article DOI: 10.1016/j.bmc.2012.03.007 BindingDB Entry DOI: 10.7270/Q2XG9S4J
					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	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human placental microsomes using [3H]E1S as substrate after 30 mins by scintillation spectrometry				Bioorg Med Chem 20: 2506-19 (2012) Article DOI: 10.1016/j.bmc.2012.03.007 BindingDB Entry DOI: 10.7270/Q2XG9S4J
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50380209 (CHEMBL2011409) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)c(CC=C)cc34)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C21H27NO4S/c1-3-4-14-11-17-13(12-19(14)26-27(22,24)25)5-6-16-15(17)9-10-21(2)18(16)7-8-20(21)23/h3,11-12,15-16,18H,1,4-10H2,2H3,(H2,22,24,25)/t15-,16+,18-,21-/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	37	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human MCF7 cells using [3H]E1S as substrate after 20 hrs by scintillation spectrometry				Bioorg Med Chem 20: 2506-19 (2012) Article DOI: 10.1016/j.bmc.2012.03.007 BindingDB Entry DOI: 10.7270/Q2XG9S4J
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50380219 (CHEMBL2011417) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4c(Br)c(OS(N)(=O)=O)ccc34)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C18H22BrNO4S/c1-18-9-8-11-10-4-6-15(24-25(20,22)23)17(19)13(10)3-2-12(11)14(18)5-7-16(18)21/h4,6,11-12,14H,2-3,5,7-9H2,1H3,(H2,20,22,23)/t11-,12-,14+,18+/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	42	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human MCF7 cells using [3H]E1S as substrate after 20 hrs by scintillation spectrometry				Bioorg Med Chem 20: 2506-19 (2012) Article DOI: 10.1016/j.bmc.2012.03.007 BindingDB Entry DOI: 10.7270/Q2XG9S4J
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50380207 (CHEMBL2011407) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)c(cc34)[N+]([O-])=O)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C18H22N2O6S/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(26-27(19,24)25)15(20(22)23)9-13(10)11/h8-9,11-12,14H,2-7H2,1H3,(H2,19,24,25)/t11-,12+,14-,18-/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	70	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human placental microsomes using [3H]E1S as substrate after 30 mins by scintillation spectrometry				Bioorg Med Chem 20: 2506-19 (2012) Article DOI: 10.1016/j.bmc.2012.03.007 BindingDB Entry DOI: 10.7270/Q2XG9S4J
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50380220 (CHEMBL2011418) Show SMILES C[C@@]12CCC[C@H]1[C@@H]1CCc3cc(OS(N)(=O)=O)ccc3[C@H]1CC2 |r| Show InChI InChI=1S/C18H25NO3S/c1-18-9-2-3-17(18)16-6-4-12-11-13(22-23(19,20)21)5-7-14(12)15(16)8-10-18/h5,7,11,15-17H,2-4,6,8-10H2,1H3,(H2,19,20,21)/t15-,16-,17+,18+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	199	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human placental microsomes using [3H]E1S as substrate after 30 mins by scintillation spectrometry				Bioorg Med Chem 20: 2506-19 (2012) Article DOI: 10.1016/j.bmc.2012.03.007 BindingDB Entry DOI: 10.7270/Q2XG9S4J
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50380211 (CHEMBL2011411) Show SMILES CCCc1cc2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CCc2cc1OS(N)(=O)=O |r| Show InChI InChI=1S/C21H29NO4S/c1-3-4-14-11-17-13(12-19(14)26-27(22,24)25)5-6-16-15(17)9-10-21(2)18(16)7-8-20(21)23/h11-12,15-16,18H,3-10H2,1-2H3,(H2,22,24,25)/t15-,16+,18-,21-/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	236	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human MCF7 cells using [3H]E1S as substrate after 20 hrs by scintillation spectrometry				Bioorg Med Chem 20: 2506-19 (2012) Article DOI: 10.1016/j.bmc.2012.03.007 BindingDB Entry DOI: 10.7270/Q2XG9S4J
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50171447 ((8R,9S,13S,14S)-2-Ethyl-13-methyl-17-oxo-7,8,9,11,...) Show SMILES CCc1cc2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CCc2cc1OS(N)(=O)=O Show InChI InChI=1S/C20H27NO4S/c1-3-12-10-16-13(11-18(12)25-26(21,23)24)4-5-15-14(16)8-9-20(2)17(15)6-7-19(20)22/h10-11,14-15,17H,3-9H2,1-2H3,(H2,21,23,24)/t14-,15+,17-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human placental microsomes using [3H]E1S as substrate after 30 mins by scintillation spectrometry				Bioorg Med Chem 20: 2506-19 (2012) Article DOI: 10.1016/j.bmc.2012.03.007 BindingDB Entry DOI: 10.7270/Q2XG9S4J
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50380219 (CHEMBL2011417) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4c(Br)c(OS(N)(=O)=O)ccc34)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C18H22BrNO4S/c1-18-9-8-11-10-4-6-15(24-25(20,22)23)17(19)13(10)3-2-12(11)14(18)5-7-16(18)21/h4,6,11-12,14H,2-3,5,7-9H2,1H3,(H2,20,22,23)/t11-,12-,14+,18+/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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human placental microsomes using [3H]E1S as substrate after 30 mins by scintillation spectrometry				Bioorg Med Chem 20: 2506-19 (2012) Article DOI: 10.1016/j.bmc.2012.03.007 BindingDB Entry DOI: 10.7270/Q2XG9S4J
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50380209 (CHEMBL2011409) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)c(CC=C)cc34)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C21H27NO4S/c1-3-4-14-11-17-13(12-19(14)26-27(22,24)25)5-6-16-15(17)9-10-21(2)18(16)7-8-20(21)23/h3,11-12,15-16,18H,1,4-10H2,2H3,(H2,22,24,25)/t15-,16+,18-,21-/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	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human placental microsomes using [3H]E1S as substrate after 30 mins by scintillation spectrometry				Bioorg Med Chem 20: 2506-19 (2012) Article DOI: 10.1016/j.bmc.2012.03.007 BindingDB Entry DOI: 10.7270/Q2XG9S4J
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50380211 (CHEMBL2011411) Show SMILES CCCc1cc2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CCc2cc1OS(N)(=O)=O |r| Show InChI InChI=1S/C21H29NO4S/c1-3-4-14-11-17-13(12-19(14)26-27(22,24)25)5-6-16-15(17)9-10-21(2)18(16)7-8-20(21)23/h11-12,15-16,18H,3-10H2,1-2H3,(H2,22,24,25)/t15-,16+,18-,21-/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	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human placental microsomes using [3H]E1S as substrate after 30 mins by scintillation spectrometry				Bioorg Med Chem 20: 2506-19 (2012) Article DOI: 10.1016/j.bmc.2012.03.007 BindingDB Entry DOI: 10.7270/Q2XG9S4J
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50380224 (CHEMBL189050) Show SMILES Cc1cc2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CCc2cc1OS(N)(=O)=O Show InChI InChI=1S/C19H25NO4S/c1-11-9-15-12(10-17(11)24-25(20,22)23)3-4-14-13(15)7-8-19(2)16(14)5-6-18(19)21/h9-10,13-14,16H,3-8H2,1-2H3,(H2,20,22,23)/t13-,14+,16-,19-/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human placental microsomes using [3H]E1S as substrate after 30 mins by scintillation spectrometry				Bioorg Med Chem 20: 2506-19 (2012) Article DOI: 10.1016/j.bmc.2012.03.007 BindingDB Entry DOI: 10.7270/Q2XG9S4J
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50380213 (CHEMBL2011413) Show SMILES CCCc1cc2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CCc2c(CCC)c1OS(N)(=O)=O |r| Show InChI InChI=1S/C24H35NO4S/c1-4-6-15-14-20-16(19(7-5-2)23(15)29-30(25,27)28)8-9-18-17(20)12-13-24(3)21(18)10-11-22(24)26/h14,17-18,21H,4-13H2,1-3H3,(H2,25,27,28)/t17-,18+,21-,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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human placental microsomes using [3H]E1S as substrate after 30 mins by scintillation spectrometry				Bioorg Med Chem 20: 2506-19 (2012) Article DOI: 10.1016/j.bmc.2012.03.007 BindingDB Entry DOI: 10.7270/Q2XG9S4J
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50380206 (CHEMBL2011421) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4c5NS(=O)(=O)Oc5ccc34)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C18H21NO4S/c1-18-9-8-11-10-4-6-15-17(19-24(21,22)23-15)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,19H,2-3,5,7-9H2,1H3/t11-,12-,14+,18+/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human placental microsomes using [3H]E1S as substrate after 30 mins by scintillation spectrometry				Bioorg Med Chem 20: 2506-19 (2012) Article DOI: 10.1016/j.bmc.2012.03.007 BindingDB Entry DOI: 10.7270/Q2XG9S4J
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50380212 (CHEMBL2011412) Show SMILES CCCc1c(OS(N)(=O)=O)ccc2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CCc12 |r| Show InChI InChI=1S/C21H29NO4S/c1-3-4-17-14-5-6-16-15(11-12-21(2)18(16)8-10-20(21)23)13(14)7-9-19(17)26-27(22,24)25/h7,9,15-16,18H,3-6,8,10-12H2,1-2H3,(H2,22,24,25)/t15-,16-,18+,21+/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human placental microsomes using [3H]E1S as substrate after 30 mins by scintillation spectrometry				Bioorg Med Chem 20: 2506-19 (2012) Article DOI: 10.1016/j.bmc.2012.03.007 BindingDB Entry DOI: 10.7270/Q2XG9S4J
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50380221 (CHEMBL2011419) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc5OS(=O)(=O)Nc5cc34)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C18H21NO4S/c1-18-7-6-11-12(14(18)4-5-17(18)20)3-2-10-8-16-15(9-13(10)11)19-24(21,22)23-16/h8-9,11-12,14,19H,2-7H2,1H3/t11-,12+,14-,18-/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human placental microsomes using [3H]E1S as substrate after 30 mins by scintillation spectrometry				Bioorg Med Chem 20: 2506-19 (2012) Article DOI: 10.1016/j.bmc.2012.03.007 BindingDB Entry DOI: 10.7270/Q2XG9S4J
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50380210 (CHEMBL2011410) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4c(CC=C)c(OS(N)(=O)=O)c(CC=C)cc34)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C24H31NO4S/c1-4-6-15-14-20-16(19(7-5-2)23(15)29-30(25,27)28)8-9-18-17(20)12-13-24(3)21(18)10-11-22(24)26/h4-5,14,17-18,21H,1-2,6-13H2,3H3,(H2,25,27,28)/t17-,18+,21-,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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human placental microsomes using [3H]E1S as substrate after 30 mins by scintillation spectrometry				Bioorg Med Chem 20: 2506-19 (2012) Article DOI: 10.1016/j.bmc.2012.03.007 BindingDB Entry DOI: 10.7270/Q2XG9S4J
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50380222 (CHEMBL2011420) Show SMILES CN1c2cc3[C@H]4CC[C@@]5(C)[C@@H](CCC5=O)[C@@H]4CCc3cc2OS1(=O)=O |r| Show InChI InChI=1S/C19H23NO4S/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-17-16(10-14(11)12)20(2)25(22,23)24-17/h9-10,12-13,15H,3-8H2,1-2H3/t12-,13+,15-,19-/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human placental microsomes using [3H]E1S as substrate after 30 mins by scintillation spectrometry				Bioorg Med Chem 20: 2506-19 (2012) Article DOI: 10.1016/j.bmc.2012.03.007 BindingDB Entry DOI: 10.7270/Q2XG9S4J
					More data for this Ligand-Target Pair