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PubMed code 11965370

Compile data set for download or QSAR
Found 18 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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n/an/a 0.5n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
In vitro inhibition of estrone sulfatase.


Bioorg Med Chem Lett 12: 1279-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00137-3
BindingDB Entry DOI: 10.7270/Q2MC90K1
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 12n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
In vitro inhibition of estrone sulfatase.


Bioorg Med Chem Lett 12: 1279-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00137-3
BindingDB Entry DOI: 10.7270/Q2MC90K1
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (human))
BDBM50112406
PNG
(CHEMBL24063 | Sulfamic acid 3-iodo-phenyl ester)
Show SMILES NS(=O)(=O)Oc1cccc(I)c1
Show InChI InChI=1S/C6H6INO3S/c7-5-2-1-3-6(4-5)11-12(8,9)10/h1-4H,(H2,8,9,10)
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n/an/a 120n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
In vitro inhibition of estrone sulfatase.


Bioorg Med Chem Lett 12: 1279-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00137-3
BindingDB Entry DOI: 10.7270/Q2MC90K1
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (human))
BDBM50098109
PNG
(3-nitrophenyl sulfamate | CHEMBL283560 | Sulfamic ...)
Show SMILES NS(=O)(=O)Oc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C6H6N2O5S/c7-14(11,12)13-6-3-1-2-5(4-6)8(9)10/h1-4H,(H2,7,11,12)
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n/an/a 120n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
In vitro inhibition of estrone sulfatase.


Bioorg Med Chem Lett 12: 1279-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00137-3
BindingDB Entry DOI: 10.7270/Q2MC90K1
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (human))
BDBM50098099
PNG
(CHEMBL23306 | Sulfamic acid 3-cyano-phenyl ester)
Show SMILES NS(=O)(=O)Oc1cccc(c1)C#N
Show InChI InChI=1S/C7H6N2O3S/c8-5-6-2-1-3-7(4-6)12-13(9,10)11/h1-4H,(H2,9,10,11)
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n/an/a 191n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
In vitro inhibition of estrone sulfatase.


Bioorg Med Chem Lett 12: 1279-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00137-3
BindingDB Entry DOI: 10.7270/Q2MC90K1
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (human))
BDBM50098104
PNG
(CHEMBL23305 | Sulfamic acid 3-bromo-phenyl ester)
Show SMILES NS(=O)(=O)Oc1cccc(Br)c1
Show InChI InChI=1S/C6H6BrNO3S/c7-5-2-1-3-6(4-5)11-12(8,9)10/h1-4H,(H2,8,9,10)
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n/an/a 257n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
In vitro inhibition of estrone sulfatase.


Bioorg Med Chem Lett 12: 1279-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00137-3
BindingDB Entry DOI: 10.7270/Q2MC90K1
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (human))
BDBM50098113
PNG
(CHEMBL24119 | Sulfamic acid 4-cyano-phenyl ester)
Show SMILES NS(=O)(=O)Oc1ccc(cc1)C#N
Show InChI InChI=1S/C7H6N2O3S/c8-5-6-1-3-7(4-2-6)12-13(9,10)11/h1-4H,(H2,9,10,11)
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n/an/a 300n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
In vitro inhibition of estrone sulfatase.


Bioorg Med Chem Lett 12: 1279-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00137-3
BindingDB Entry DOI: 10.7270/Q2MC90K1
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (human))
BDBM50098105
PNG
(CHEMBL23258 | Sulfamic acid 4-nitro-phenyl ester)
Show SMILES NS(=O)(=O)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C6H6N2O5S/c7-14(11,12)13-6-3-1-5(2-4-6)8(9)10/h1-4H,(H2,7,11,12)
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n/an/a 330n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
In vitro inhibition of estrone sulfatase.


Bioorg Med Chem Lett 12: 1279-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00137-3
BindingDB Entry DOI: 10.7270/Q2MC90K1
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (human))
BDBM50098103
PNG
(4-fluorophenyl sulfamate | CHEMBL23865 | Sulfamic ...)
Show SMILES NS(=O)(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C6H6FNO3S/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4H,(H2,8,9,10)
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n/an/a 537n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
In vitro inhibition of estrone sulfatase.


Bioorg Med Chem Lett 12: 1279-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00137-3
BindingDB Entry DOI: 10.7270/Q2MC90K1
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (human))
BDBM50098100
PNG
(CHEMBL282717 | Sulfamic acid 3-chloro-phenyl ester)
Show SMILES NS(=O)(=O)Oc1cccc(Cl)c1
Show InChI InChI=1S/C6H6ClNO3S/c7-5-2-1-3-6(4-5)11-12(8,9)10/h1-4H,(H2,8,9,10)
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n/an/a 537n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
In vitro inhibition of estrone sulfatase.


Bioorg Med Chem Lett 12: 1279-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00137-3
BindingDB Entry DOI: 10.7270/Q2MC90K1
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (human))
BDBM50112403
PNG
(CHEMBL24120 | Sulfamic acid 4-iodo-phenyl ester)
Show SMILES NS(=O)(=O)Oc1ccc(I)cc1
Show InChI InChI=1S/C6H6INO3S/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4H,(H2,8,9,10)
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n/an/a 560n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
In vitro inhibition of estrone sulfatase.


Bioorg Med Chem Lett 12: 1279-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00137-3
BindingDB Entry DOI: 10.7270/Q2MC90K1
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (human))
BDBM50112404
PNG
(CHEMBL23067 | Sulfamic acid 2,2,2-trichloro-ethyl ...)
Show SMILES NS(=O)(=O)OCC(Cl)(Cl)Cl
Show InChI InChI=1S/C2H4Cl3NO3S/c3-2(4,5)1-9-10(6,7)8/h1H2,(H2,6,7,8)
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n/an/a 750n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
In vitro inhibition of estrone sulfatase.


Bioorg Med Chem Lett 12: 1279-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00137-3
BindingDB Entry DOI: 10.7270/Q2MC90K1
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (human))
BDBM50098108
PNG
(CHEMBL283121 | Sulfamic acid 4-bromo-phenyl ester)
Show SMILES NS(=O)(=O)Oc1ccc(Br)cc1
Show InChI InChI=1S/C6H6BrNO3S/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4H,(H2,8,9,10)
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n/an/a 912n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
In vitro inhibition of estrone sulfatase.


Bioorg Med Chem Lett 12: 1279-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00137-3
BindingDB Entry DOI: 10.7270/Q2MC90K1
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (human))
BDBM50098102
PNG
(CHEMBL23350 | Sulfamic acid 4-chloro-phenyl ester)
Show SMILES NS(=O)(=O)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C6H6ClNO3S/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4H,(H2,8,9,10)
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n/an/a 1.59E+3n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
In vitro inhibition of estrone sulfatase.


Bioorg Med Chem Lett 12: 1279-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00137-3
BindingDB Entry DOI: 10.7270/Q2MC90K1
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (human))
BDBM50098107
PNG
(CHEMBL287279 | Sulfamic acid m-tolyl ester)
Show SMILES Cc1cccc(OS(N)(=O)=O)c1
Show InChI InChI=1S/C7H9NO3S/c1-6-3-2-4-7(5-6)11-12(8,9)10/h2-5H,1H3,(H2,8,9,10)
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n/an/a 2.09E+3n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
In vitro inhibition of estrone sulfatase.


Bioorg Med Chem Lett 12: 1279-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00137-3
BindingDB Entry DOI: 10.7270/Q2MC90K1
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (human))
BDBM50098112
PNG
(CHEMBL23864 | Sulfamic acid 3-fluoro-phenyl ester)
Show SMILES NS(=O)(=O)Oc1cccc(F)c1
Show InChI InChI=1S/C6H6FNO3S/c7-5-2-1-3-6(4-5)11-12(8,9)10/h1-4H,(H2,8,9,10)
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n/an/a 2.09E+3n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
In vitro inhibition of estrone sulfatase.


Bioorg Med Chem Lett 12: 1279-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00137-3
BindingDB Entry DOI: 10.7270/Q2MC90K1
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (human))
BDBM50098101
PNG
(CHEMBL24210 | Sulfamic acid p-tolyl ester)
Show SMILES Cc1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C7H9NO3S/c1-6-2-4-7(5-3-6)11-12(8,9)10/h2-5H,1H3,(H2,8,9,10)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
In vitro inhibition of estrone sulfatase.


Bioorg Med Chem Lett 12: 1279-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00137-3
BindingDB Entry DOI: 10.7270/Q2MC90K1
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (human))
BDBM50098106
PNG
(CHEMBL24259 | PHENYLSULFAMATE | Sulfamic acid phen...)
Show SMILES NS(=O)(=O)Oc1ccccc1
Show InChI InChI=1S/C6H7NO3S/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
In vitro inhibition of estrone sulfatase.


Bioorg Med Chem Lett 12: 1279-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00137-3
BindingDB Entry DOI: 10.7270/Q2MC90K1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%