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PubMed code 10397493

Compile data set for download or QSAR
Found 4 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))
BDBM50078543
PNG
(CHEMBL44459 | Sulfamic acid 4-(2-tetradecanoylamin...)
Show SMILES CCCCCCCCCCCCCC(=O)NCCc1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C22H38N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(25)24-19-18-20-14-16-21(17-15-20)28-29(23,26)27/h14-17H,2-13,18-19H2,1H3,(H,24,25)(H2,23,26,27)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 56n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibitory activity against estrone sulfatase enzyme


Bioorg Med Chem Lett 9: 1645-50 (1999)


Article DOI: 10.1016/s0960-894x(99)00245-0
BindingDB Entry DOI: 10.7270/Q23R0TC0
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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Article
PubMed
n/an/a 65n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibitory activity against estrone sulfatase enzyme


Bioorg Med Chem Lett 9: 1645-50 (1999)


Article DOI: 10.1016/s0960-894x(99)00245-0
BindingDB Entry DOI: 10.7270/Q23R0TC0
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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PC cid
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Article
PubMed
n/an/a 380n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibitory activity against estrone sulfatase enzyme


Bioorg Med Chem Lett 9: 1645-50 (1999)


Article DOI: 10.1016/s0960-894x(99)00245-0
BindingDB Entry DOI: 10.7270/Q23R0TC0
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (human))
BDBM50078542
PNG
(CHEMBL26036 | Sulfamic acid 5,6,7,8-tetrahydro-nap...)
Show SMILES NS(=O)(=O)Oc1ccc2CCCCc2c1
Show InChI InChI=1S/C10H13NO3S/c11-15(12,13)14-10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2,(H2,11,12,13)
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PC cid
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Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibitory activity against estrone sulfatase enzyme


Bioorg Med Chem Lett 9: 1645-50 (1999)


Article DOI: 10.1016/s0960-894x(99)00245-0
BindingDB Entry DOI: 10.7270/Q23R0TC0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%