Found 16 hits of Enzyme Inhibition Constant Data 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)) | 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 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 | |
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)) | 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)) | 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)) | 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 | |
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)) | 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)) | 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)) | 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 | |
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 | |
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