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PubMed code 12161140

Compile data set for download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Steryl-sulfatase


(Homo sapiens (human))
BDBM50134329
PNG
(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
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PubMed
n/an/a 500n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibitory activity against Estrone Sulfatase


Bioorg Med Chem Lett 12: 2391-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00383-9
BindingDB Entry DOI: 10.7270/Q2S75GV2
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (human))
BDBM50116818
PNG
(4-Sulfamoyloxy-benzoic acid heptyl ester | CHEMBL4...)
Show SMILES CCCCCCCOC(=O)c1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C14H21NO5S/c1-2-3-4-5-6-11-19-14(16)12-7-9-13(10-8-12)20-21(15,17)18/h7-10H,2-6,11H2,1H3,(H2,15,17,18)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibitory activity against Estrone Sulfatase


Bioorg Med Chem Lett 12: 2391-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00383-9
BindingDB Entry DOI: 10.7270/Q2S75GV2
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (human))
BDBM50116815
PNG
(4-Sulfamoyloxy-benzoic acid hexyl ester | CHEMBL78...)
Show SMILES CCCCCCOC(=O)c1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C13H19NO5S/c1-2-3-4-5-10-18-13(15)11-6-8-12(9-7-11)19-20(14,16)17/h6-9H,2-5,10H2,1H3,(H2,14,16,17)
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n/an/a 3.80E+3n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibitory activity against Estrone Sulfatase


Bioorg Med Chem Lett 12: 2391-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00383-9
BindingDB Entry DOI: 10.7270/Q2S75GV2
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (human))
BDBM50116813
PNG
(4-Sulfamoyloxy-benzoic acid nonyl ester | CHEMBL80...)
Show SMILES CCCCCCCCCOC(=O)c1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C16H25NO5S/c1-2-3-4-5-6-7-8-13-21-16(18)14-9-11-15(12-10-14)22-23(17,19)20/h9-12H,2-8,13H2,1H3,(H2,17,19,20)
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n/an/a 4.80E+3n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibitory activity against Estrone Sulfatase


Bioorg Med Chem Lett 12: 2391-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00383-9
BindingDB Entry DOI: 10.7270/Q2S75GV2
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (human))
BDBM50116814
PNG
(4-Sulfamoyloxy-benzoic acid octyl ester | CHEMBL42...)
Show SMILES CCCCCCCCOC(=O)c1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C15H23NO5S/c1-2-3-4-5-6-7-12-20-15(17)13-8-10-14(11-9-13)21-22(16,18)19/h8-11H,2-7,12H2,1H3,(H2,16,18,19)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibitory activity against Estrone Sulfatase


Bioorg Med Chem Lett 12: 2391-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00383-9
BindingDB Entry DOI: 10.7270/Q2S75GV2
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (human))
BDBM50116811
PNG
(4-Sulfamoyloxy-benzoic acid pentyl ester | CHEMBL3...)
Show SMILES CCCCCOC(=O)c1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C12H17NO5S/c1-2-3-4-9-17-12(14)10-5-7-11(8-6-10)18-19(13,15)16/h5-8H,2-4,9H2,1H3,(H2,13,15,16)
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n/an/a 5.90E+3n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibitory activity against Estrone Sulfatase


Bioorg Med Chem Lett 12: 2391-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00383-9
BindingDB Entry DOI: 10.7270/Q2S75GV2
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (human))
BDBM50116810
PNG
(4-Sulfamoyloxy-benzoic acid butyl ester | CHEMBL76...)
Show SMILES CCCCOC(=O)c1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C11H15NO5S/c1-2-3-8-16-11(13)9-4-6-10(7-5-9)17-18(12,14)15/h4-7H,2-3,8H2,1H3,(H2,12,14,15)
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n/an/a 1.05E+4n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibitory activity against Estrone Sulfatase


Bioorg Med Chem Lett 12: 2391-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00383-9
BindingDB Entry DOI: 10.7270/Q2S75GV2
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (human))
BDBM50051829
PNG
(4-methyl-2-oxo-2H-chromen-7-yl sulfamate | CHEMBL1...)
Show SMILES Cc1cc(=O)oc2cc(OS(N)(=O)=O)ccc12
Show InChI InChI=1S/C10H9NO5S/c1-6-4-10(12)15-9-5-7(2-3-8(6)9)16-17(11,13)14/h2-5H,1H3,(H2,11,13,14)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibitory activity against Estrone Sulfatase


Bioorg Med Chem Lett 12: 2391-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00383-9
BindingDB Entry DOI: 10.7270/Q2S75GV2
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (human))
BDBM50116817
PNG
(4-Sulfamoyloxy-benzoic acid propyl ester | CHEMBL7...)
Show SMILES CCCOC(=O)c1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C10H13NO5S/c1-2-7-15-10(12)8-3-5-9(6-4-8)16-17(11,13)14/h3-6H,2,7H2,1H3,(H2,11,13,14)
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n/an/a 1.32E+4n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibitory activity against Estrone Sulfatase


Bioorg Med Chem Lett 12: 2391-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00383-9
BindingDB Entry DOI: 10.7270/Q2S75GV2
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (human))
BDBM50116812
PNG
(4-Sulfamoyloxy-benzoic acid decyl ester | CHEMBL30...)
Show SMILES CCCCCCCCCCOC(=O)c1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C17H27NO5S/c1-2-3-4-5-6-7-8-9-14-22-17(19)15-10-12-16(13-11-15)23-24(18,20)21/h10-13H,2-9,14H2,1H3,(H2,18,20,21)
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PubMed
n/an/a 2.24E+4n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibitory activity against Estrone Sulfatase


Bioorg Med Chem Lett 12: 2391-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00383-9
BindingDB Entry DOI: 10.7270/Q2S75GV2
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (human))
BDBM50116816
PNG
(4-Sulfamoyloxy-benzoic acid ethyl ester | CHEMBL79...)
Show SMILES CCOC(=O)c1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C9H11NO5S/c1-2-14-9(11)7-3-5-8(6-4-7)15-16(10,12)13/h3-6H,2H2,1H3,(H2,10,12,13)
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PubMed
n/an/a 3.16E+4n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibitory activity against Estrone Sulfatase


Bioorg Med Chem Lett 12: 2391-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00383-9
BindingDB Entry DOI: 10.7270/Q2S75GV2
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (human))
BDBM50116819
PNG
(4-Sulfamoyloxy-benzoic acid methyl ester | CHEMBL3...)
Show SMILES COC(=O)c1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C8H9NO5S/c1-13-8(10)6-2-4-7(5-3-6)14-15(9,11)12/h2-5H,1H3,(H2,9,11,12)
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n/an/a 3.16E+4n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibitory activity against Estrone sulfatase was determined


Bioorg Med Chem Lett 12: 2391-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00383-9
BindingDB Entry DOI: 10.7270/Q2S75GV2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%