Compile Data Set for Download or QSAR

Found 24 hits with Last Name = 'schreiner' and Initial = 'ep'   

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))	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))	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))	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	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Forschungsinstitut Curated by ChEMBL					Assay Description Inhibitory activity against human steroid sulfatase in sebocytes				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))	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	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Forschungsinstitut Curated by ChEMBL					Assay Description Inhibitory activity against human steroid sulfatase expressing 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))	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	n/a	n/a	0.770	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Forschungsinstitut Curated by ChEMBL					Assay Description Inhibition of human STS in keratinocytes				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))	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	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Forschungsinstitut Curated by ChEMBL					Assay Description Inhibitory activity against STS in human MCF-7 breast cancer 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))	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	n/a	n/a	32	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))	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	50	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research GDC Curated by ChEMBL					Assay Description Inhibition of purified human steroid sulfatase				Bioorg Med Chem Lett 14: 4999-5002 (2004) Article DOI: 10.1016/j.bmcl.2004.07.013 BindingDB Entry DOI: 10.7270/Q2Z89D64
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50152734 (2-Adamantan-2-ylidenemethyl-benzooxazol-6-ol | CHE...) Show SMILES Oc1ccc2nc(C=C3C4CC5CC(C4)CC3C5)oc2c1 |TLB:17:16:14:11.10.12,THB:12:13:8:11.10.17,12:11:8:13.14.15,7:8:14:11.10.12,17:11:14:8.16.15| Show InChI InChI=1S/C18H19NO2/c20-14-1-2-16-17(8-14)21-18(19-16)9-15-12-4-10-3-11(6-12)7-13(15)5-10/h1-2,8-13,20H,3-7H2/b15-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research GDC Curated by ChEMBL					Assay Description Inhibition of purified human steroid sulfatase				Bioorg Med Chem Lett 14: 4999-5002 (2004) Article DOI: 10.1016/j.bmcl.2004.07.013 BindingDB Entry DOI: 10.7270/Q2Z89D64
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50370420 (CHEMBL1627728) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OC=O)ccc34)[C@@H]1CCC2=O Show InChI InChI=1S/C19H22O3/c1-19-9-8-15-14-5-3-13(22-11-20)10-12(14)2-4-16(15)17(19)6-7-18(19)21/h3,5,10-11,15-17H,2,4,6-9H2,1H3/t15-,16-,17+,19+/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	420	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research GDC Curated by ChEMBL					Assay Description Inhibition of purified human steroid sulfatase				Bioorg Med Chem Lett 14: 4999-5002 (2004) Article DOI: 10.1016/j.bmcl.2004.07.013 BindingDB Entry DOI: 10.7270/Q2Z89D64
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50152730 (CHEMBL183635 | Formic acid 2-adamantan-2-ylideneme...) Show SMILES O=COc1ccc2nc(C=C3C4CC5CC(C4)CC3C5)oc2c1 |TLB:19:18:16:13.12.14,THB:14:15:10:13.12.19,14:13:10:15.16.17,9:10:16:13.12.14,19:13:16:10.18.17| Show InChI InChI=1S/C19H19NO3/c21-10-22-15-1-2-17-18(8-15)23-19(20-17)9-16-13-4-11-3-12(6-13)7-14(16)5-11/h1-2,8-14H,3-7H2/b16-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research GDC Curated by ChEMBL					Assay Description Inhibition of purified human steroid sulfatase				Bioorg Med Chem Lett 14: 4999-5002 (2004) Article DOI: 10.1016/j.bmcl.2004.07.013 BindingDB Entry DOI: 10.7270/Q2Z89D64
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50152741 (CHEMBL366133 | Formic acid (3S,10R,13S)-10,13-dime...) Show SMILES C[C@]12CCC3C(CCC4=C[C@H](CC[C@]34C)OC=O)C1CCC2=O |t:8| Show InChI InChI=1S/C20H28O3/c1-19-9-7-14(23-12-21)11-13(19)3-4-15-16-5-6-18(22)20(16,2)10-8-17(15)19/h11-12,14-17H,3-10H2,1-2H3/t14-,15?,16?,17?,19-,20-/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
Novartis Institutes for BioMedical Research GDC Curated by ChEMBL					Assay Description Inhibition of purified human steroid sulfatase				Bioorg Med Chem Lett 14: 4999-5002 (2004) Article DOI: 10.1016/j.bmcl.2004.07.013 BindingDB Entry DOI: 10.7270/Q2Z89D64
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50152732 (CHEMBL366050 | Formic acid phenyl ester) Show SMILES O=COc1ccccc1 Show InChI InChI=1S/C7H6O2/c8-6-9-7-4-2-1-3-5-7/h1-6H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research GDC Curated by ChEMBL					Assay Description Inhibition of purified human steroid sulfatase				Bioorg Med Chem Lett 14: 4999-5002 (2004) Article DOI: 10.1016/j.bmcl.2004.07.013 BindingDB Entry DOI: 10.7270/Q2Z89D64
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50370423 (CHEMBL1627726) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)NCc5ccccc5)ccc34)[C@@H]1CCC2=O Show InChI InChI=1S/C26H29NO3/c1-26-14-13-21-20-10-8-19(30-25(29)27-16-17-5-3-2-4-6-17)15-18(20)7-9-22(21)23(26)11-12-24(26)28/h2-6,8,10,15,21-23H,7,9,11-14,16H2,1H3,(H,27,29)/t21-,22-,23+,26+/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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research GDC Curated by ChEMBL					Assay Description Inhibition of purified human steroid sulfatase				Bioorg Med Chem Lett 14: 4999-5002 (2004) Article DOI: 10.1016/j.bmcl.2004.07.013 BindingDB Entry DOI: 10.7270/Q2Z89D64
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50370422 (CHEMBL1627997) Show SMILES CC(=O)Oc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CCc2c1 Show InChI InChI=1S/C20H24O3/c1-12(21)23-14-4-6-15-13(11-14)3-5-17-16(15)9-10-20(2)18(17)7-8-19(20)22/h4,6,11,16-18H,3,5,7-10H2,1-2H3/t16-,17-,18+,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research GDC Curated by ChEMBL					Assay Description Inhibition of purified human steroid sulfatase				Bioorg Med Chem Lett 14: 4999-5002 (2004) Article DOI: 10.1016/j.bmcl.2004.07.013 BindingDB Entry DOI: 10.7270/Q2Z89D64
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50370421 (CHEMBL1627995) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OC#N)ccc34)[C@@H]1CCC2=O Show InChI InChI=1S/C19H21NO2/c1-19-9-8-15-14-5-3-13(22-11-20)10-12(14)2-4-16(15)17(19)6-7-18(19)21/h3,5,10,15-17H,2,4,6-9H2,1H3/t15-,16-,17+,19+/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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research GDC Curated by ChEMBL					Assay Description Inhibition of purified human steroid sulfatase				Bioorg Med Chem Lett 14: 4999-5002 (2004) Article DOI: 10.1016/j.bmcl.2004.07.013 BindingDB Entry DOI: 10.7270/Q2Z89D64
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50370419 (CHEMBL1628057) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(N)=S)ccc34)[C@@H]1CCC2=O Show InChI InChI=1S/C19H23NO2S/c1-19-9-8-14-13-5-3-12(22-18(20)23)10-11(13)2-4-15(14)16(19)6-7-17(19)21/h3,5,10,14-16H,2,4,6-9H2,1H3,(H2,20,23)/t14-,15-,16+,19+/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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research GDC Curated by ChEMBL					Assay Description Inhibition of purified human steroid sulfatase				Bioorg Med Chem Lett 14: 4999-5002 (2004) Article DOI: 10.1016/j.bmcl.2004.07.013 BindingDB Entry DOI: 10.7270/Q2Z89D64
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50370417 (CHEMBL1627727) Show SMILES CC(C)(C)OC(=O)NCC(=O)Oc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CCc2c1 Show InChI InChI=1S/C25H33NO5/c1-24(2,3)31-23(29)26-14-22(28)30-16-6-8-17-15(13-16)5-7-19-18(17)11-12-25(4)20(19)9-10-21(25)27/h6,8,13,18-20H,5,7,9-12,14H2,1-4H3,(H,26,29)/t18-,19-,20+,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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research GDC Curated by ChEMBL					Assay Description Inhibition of purified human steroid sulfatase				Bioorg Med Chem Lett 14: 4999-5002 (2004) Article DOI: 10.1016/j.bmcl.2004.07.013 BindingDB Entry DOI: 10.7270/Q2Z89D64
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50370416 (CHEMBL1627730) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)CN)ccc34)[C@@H]1CCC2=O Show InChI InChI=1S/C20H25NO3/c1-20-9-8-15-14-5-3-13(24-19(23)11-21)10-12(14)2-4-16(15)17(20)6-7-18(20)22/h3,5,10,15-17H,2,4,6-9,11,21H2,1H3/t15-,16-,17+,20+/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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research GDC Curated by ChEMBL					Assay Description Inhibition of purified human steroid sulfatase				Bioorg Med Chem Lett 14: 4999-5002 (2004) Article DOI: 10.1016/j.bmcl.2004.07.013 BindingDB Entry DOI: 10.7270/Q2Z89D64
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50370418 (CHEMBL1628189) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(N)=O)ccc34)[C@@H]1CCC2=O Show InChI InChI=1S/C19H23NO3/c1-19-9-8-14-13-5-3-12(23-18(20)22)10-11(13)2-4-15(14)16(19)6-7-17(19)21/h3,5,10,14-16H,2,4,6-9H2,1H3,(H2,20,22)/t14-,15-,16+,19+/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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research GDC Curated by ChEMBL					Assay Description Inhibition of purified human steroid sulfatase				Bioorg Med Chem Lett 14: 4999-5002 (2004) Article DOI: 10.1016/j.bmcl.2004.07.013 BindingDB Entry DOI: 10.7270/Q2Z89D64
					More data for this Ligand-Target Pair
Estrogen receptor beta (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Novartis Forschungsinstitut Curated by ChEMBL					Assay Description Affinity for human estrogen receptor beta				Bioorg Med Chem Lett 13: 4313-6 (2003) BindingDB Entry DOI: 10.7270/Q28S4QGH
					More data for this Ligand-Target Pair
Estrogen receptor (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Novartis Forschungsinstitut Curated by ChEMBL					Assay Description Affinity for human estrogen receptor alpha				Bioorg Med Chem Lett 13: 4313-6 (2003) BindingDB Entry DOI: 10.7270/Q28S4QGH
					More data for this Ligand-Target Pair
Estrogen receptor beta (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a
Novartis Forschungsinstitut Curated by ChEMBL					Assay Description Affinity for human estrogen receptor beta				Bioorg Med Chem Lett 13: 4313-6 (2003) BindingDB Entry DOI: 10.7270/Q28S4QGH
					More data for this Ligand-Target Pair
Estrogen receptor (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a
Novartis Forschungsinstitut Curated by ChEMBL					Assay Description Affinity for human estrogen receptor alpha				Bioorg Med Chem Lett 13: 4313-6 (2003) BindingDB Entry DOI: 10.7270/Q28S4QGH
					More data for this Ligand-Target Pair