Found 23 hits Enz. Inhib. hit(s) with Target = 'Steryl-sulfatase' and Ligand = 'BDBM13058' 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)) | BDBM13058
(6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...)Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18) | PDB MMDB
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| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02220 BindingDB Entry DOI: 10.7270/Q20869C9 |
More data for this Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM13058
(6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...)Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18) | PDB MMDB
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| Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | 7.5 | 37 |
University of Bath
| Assay Description The extent of in vitro inhibition of sulfatase activities was assessed using intact monolayers of JEG-3 cells. Sulfatase activity was measured using ... |
J Med Chem 51: 4226-38 (2008)
Article DOI: 10.1021/jm800168s BindingDB Entry DOI: 10.7270/Q26W98DJ |
More data for this Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM13058
(6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...)Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18) | PDB MMDB
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| Article PubMed
| n/a | n/a | 1.5 | 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 JEG3 cells by scintillation spectrometry |
J Med Chem 53: 2155-70 (2010)
Article DOI: 10.1021/jm901705h BindingDB Entry DOI: 10.7270/Q2959JGF |
More data for this Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM13058
(6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...)Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18) | PDB MMDB
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| Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
| Assay Description The extent of in vitro inhibition of sulfatase activities was assessed using intact monolayers of JEG-3 cells. Sulfatase activity was measured using ... |
J Med Chem 50: 3540-60 (2007)
Article DOI: 10.1021/jm061462b BindingDB Entry DOI: 10.7270/Q2348HP4 |
More data for this Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM13058
(6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...)Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18) | PDB MMDB
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| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of STS in human T47D cells preincubated for 1 hr followed by addition of [3H]-E1S/E1S as substrate measured after 24 hrs by HPLC based rad... |
J Med Chem 60: 4086-4092 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00062 BindingDB Entry DOI: 10.7270/Q2J968VG |
More data for this Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM13058
(6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...)Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18) | PDB MMDB
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| Article PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Irreversible inhibition of STS in human T47D cells preincubated for 2 hrs followed by compound washout and addition of [3H]-E1S/E1S as substrate meas... |
J Med Chem 60: 4086-4092 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00062 BindingDB Entry DOI: 10.7270/Q2J968VG |
More data for this Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM13058
(6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...)Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18) | PDB MMDB
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| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sharjah
Curated by ChEMBL
| Assay Description Inhibition of steroid sulfatase in human JEG3 cells using [3H] E1S as substrate incubated for 20 hrs by scintillation spectrometry analysis |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115406 BindingDB Entry DOI: 10.7270/Q2ZG6WSG |
More data for this Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM13058
(6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...)Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18) | PDB MMDB
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| Article PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00589 BindingDB Entry DOI: 10.7270/Q2125XPN |
More data for this Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM13058
(6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...)Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18) | PDB MMDB
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| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00589 BindingDB Entry DOI: 10.7270/Q2125XPN |
More data for this Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM13058
(6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...)Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18) | PDB MMDB
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| Article PubMed
| n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sharjah
Curated by ChEMBL
| Assay Description Inhibition of steroid sulfatase in human JEG3 cell lysates using [3H] E1S as substrate after 1 hr by scintillation spectrometry analysis |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115406 BindingDB Entry DOI: 10.7270/Q2ZG6WSG |
More data for this Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM13058
(6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...)Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18) | PDB MMDB
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| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Maryamppound39s Hospital
| Assay Description The extent of in vitro inhibition of sulfatase activities was assessed using intact monolayers of JEG-3 cells. Sulfatase activity was measured using ... |
Biochem Biophys Res Commun 305: 909-14 (2003)
Article DOI: 10.1016/s0006-291x(03)00865-9 BindingDB Entry DOI: 10.7270/Q2TD9VKK |
More data for this Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM13058
(6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...)Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18) | PDB MMDB
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| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
P.C. Jabin Science College
Curated by ChEMBL
| Assay Description Inhibition of steroid sulfatase (unknown origin) |
Eur J Med Chem 74: 225-33 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.061 BindingDB Entry DOI: 10.7270/Q20866SF |
More data for this Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM13058
(6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...)Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18) | PDB MMDB
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Kingston University
Curated by ChEMBL
| Assay Description Tested for the inhibitory activity against Estrone Sulfatase |
Bioorg Med Chem Lett 11: 3001-5 (2001)
BindingDB Entry DOI: 10.7270/Q2W959QT |
More data for this Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM13058
(6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...)Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18) | PDB MMDB
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| | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibitory activity to dihydrofolate reductase in Escherichia coli |
Citation and Details
|
More data for this Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM13058
(6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...)Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18) | PDB MMDB
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| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description Inhibition of placental microsomal estrone sulfatase (unknown origin) using [3H]-estrone sulphate as substrate |
Eur J Med Chem 114: 170-90 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.054 BindingDB Entry DOI: 10.7270/Q26Q2048 |
More data for this Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM13058
(6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...)Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18) | PDB MMDB
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114658 BindingDB Entry DOI: 10.7270/Q2NP28CD |
More data for this Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM13058
(6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...)Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18) | PDB MMDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human placental microsomal STS assessed as formation of E1 preincubated for 30 mins followed by addition of E1S as substrate measured a... |
J Med Chem 60: 4086-4092 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00062 BindingDB Entry DOI: 10.7270/Q2J968VG |
More data for this Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM13058
(6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...)Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18) | PDB MMDB
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| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Kingston University
Curated by ChEMBL
| Assay Description Inhibition of estrone sulfatase |
Bioorg Med Chem Lett 14: 605-9 (2004)
BindingDB Entry DOI: 10.7270/Q2H132K6 |
More data for this Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM13058
(6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...)Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18) | PDB MMDB
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| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Kingston University
Curated by ChEMBL
| Assay Description Compound was evaluated for its inhibitory activity against estrone sulfatase enzyme |
Bioorg Med Chem Lett 12: 1343-6 (2002)
BindingDB Entry DOI: 10.7270/Q23N23X6 |
More data for this Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM13058
(6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...)Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18) | PDB MMDB
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| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description Irreversible inhibition of steroid sulfatase in human intact MCF7 cells |
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)) | BDBM13058
(6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...)Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18) | PDB MMDB
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| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description Inhibition of steroid sulfatase in human intact MCF7 cells |
Bioorg Med Chem 19: 5999-6005 (2011)
Article DOI: 10.1016/j.bmc.2011.08.046 BindingDB Entry DOI: 10.7270/Q2FX79VJ |
More data for this Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM13058
(6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...)Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18) | PDB MMDB
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| Article PubMed
| n/a | n/a | 421 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sharjah
Curated by ChEMBL
| Assay Description Inhibition of steroid sulfatase in human JEG-3 cells assessed as [14C]-Estrone formation using [3H]E1S as substrate |
Bioorg Med Chem 24: 2762-7 (2016)
Article DOI: 10.1016/j.bmc.2016.04.040 BindingDB Entry DOI: 10.7270/Q2XD13KC |
More data for this Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM13058
(6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...)Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18) | PDB MMDB
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| Article PubMed
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute for Natural Products Research and Infection Biology
Curated by ChEMBL
| Assay Description Inhibition of Estrone sulfatase in human placental microsome |
J Med Chem 50: 3661-6 (2007)
Article DOI: 10.1021/jm0611657 BindingDB Entry DOI: 10.7270/Q2VD6Z45 |
More data for this Ligand-Target Pair | |