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PubMed code 11992773

Compile data set for download or QSAR
Found 10 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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Article
PubMed
n/an/a 0.100n/an/an/an/an/an/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)


Article DOI: 10.1016/s0960-894x(02)00170-1
BindingDB Entry DOI: 10.7270/Q23N23X6
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (human))
BDBM13058
PNG
(6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...)
Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1
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)
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PubMed
n/an/a 0.210n/an/an/an/an/an/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)


Article DOI: 10.1016/s0960-894x(02)00170-1
BindingDB Entry DOI: 10.7270/Q23N23X6
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (human))
BDBM50219435
PNG
(CHEMBL26078)
Show SMILES CCCOC(=O)c1ccc(cc1)-c1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C16H17NO5S/c1-2-11-21-16(18)14-5-3-12(4-6-14)13-7-9-15(10-8-13)22-23(17,19)20/h3-10H,2,11H2,1H3,(H2,17,19,20)
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n/an/a 3.5n/an/an/an/an/an/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)


Article DOI: 10.1016/s0960-894x(02)00170-1
BindingDB Entry DOI: 10.7270/Q23N23X6
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (human))
BDBM50219437
PNG
(CHEMBL26089)
Show SMILES CCOC(=O)c1ccc(cc1)-c1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C15H15NO5S/c1-2-20-15(17)13-5-3-11(4-6-13)12-7-9-14(10-8-12)21-22(16,18)19/h3-10H,2H2,1H3,(H2,16,18,19)
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n/an/a 4.20n/an/an/an/an/an/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)


Article DOI: 10.1016/s0960-894x(02)00170-1
BindingDB Entry DOI: 10.7270/Q23N23X6
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (human))
BDBM50219434
PNG
(CHEMBL282366)
Show SMILES COC(=O)c1ccc(cc1)-c1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C14H13NO5S/c1-19-14(16)12-4-2-10(3-5-12)11-6-8-13(9-7-11)20-21(15,17)18/h2-9H,1H3,(H2,15,17,18)
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n/an/a 5.20n/an/an/an/an/an/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)


Article DOI: 10.1016/s0960-894x(02)00170-1
BindingDB Entry DOI: 10.7270/Q23N23X6
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (human))
BDBM50219436
PNG
(CHEMBL26658)
Show SMILES CCCCOC(=O)c1ccc(cc1)-c1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C17H19NO5S/c1-2-3-12-22-17(19)15-6-4-13(5-7-15)14-8-10-16(11-9-14)23-24(18,20)21/h4-11H,2-3,12H2,1H3,(H2,18,20,21)
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n/an/a 5.80n/an/an/an/an/an/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)


Article DOI: 10.1016/s0960-894x(02)00170-1
BindingDB Entry DOI: 10.7270/Q23N23X6
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (human))
BDBM50219438
PNG
(CHEMBL27331)
Show SMILES NS(=O)(=O)Oc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C13H10N2O3S/c14-9-10-1-3-11(4-2-10)12-5-7-13(8-6-12)18-19(15,16)17/h1-8H,(H2,15,16,17)
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n/an/a 6.70n/an/an/an/an/an/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)


Article DOI: 10.1016/s0960-894x(02)00170-1
BindingDB Entry DOI: 10.7270/Q23N23X6
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 10n/an/an/an/an/an/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)


Article DOI: 10.1016/s0960-894x(02)00170-1
BindingDB Entry DOI: 10.7270/Q23N23X6
More data for this
Ligand-Target Pair
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 65n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit the enzyme estrone sulfatase was determined


Bioorg Med Chem Lett 12: 1343-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00170-1
BindingDB Entry DOI: 10.7270/Q23N23X6
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (human))
BDBM50128227
PNG
(CHEMBL417287 | Sulfamic acid biphenyl-4-yl ester)
Show SMILES NS(=O)(=O)Oc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C12H11NO3S/c13-17(14,15)16-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)
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PubMed
n/an/a 76n/an/an/an/an/an/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)


Article DOI: 10.1016/s0960-894x(02)00170-1
BindingDB Entry DOI: 10.7270/Q23N23X6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%