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Compile Data Set for Download or QSAR

Found 13 hits of ph data with Target = 'Steryl-sulfatase'   
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))
BDBM10017
PNG
((4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]m...)
Show SMILES NS(=O)(=O)Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1
Show InChI InChI=1S/C16H14N6O3S/c17-9-13-1-5-15(6-2-13)22(21-11-19-20-12-21)10-14-3-7-16(8-4-14)25-26(18,23)24/h1-8,11-12H,10H2,(H2,18,23,24)
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Article
PubMed
n/an/a 227n/an/an/an/a7.537



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 46: 3193-6 (2003)


Article DOI: 10.1021/jm034033b
BindingDB Entry DOI: 10.7270/Q2HT2MHG
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (human))
BDBM10018
PNG
((4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]m...)
Show SMILES NS(=O)(=O)Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1F
Show InChI InChI=1S/C16H13FN6O3S/c17-15-7-13(3-6-16(15)26-27(19,24)25)9-23(22-10-20-21-11-22)14-4-1-12(8-18)2-5-14/h1-7,10-11H,9H2,(H2,19,24,25)
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Article
PubMed
n/an/a 40n/an/an/an/a7.537



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 46: 3193-6 (2003)


Article DOI: 10.1021/jm034033b
BindingDB Entry DOI: 10.7270/Q2HT2MHG
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (human))
BDBM10019
PNG
((2-chloro-4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-y...)
Show SMILES NS(=O)(=O)Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1Cl
Show InChI InChI=1S/C16H13ClN6O3S/c17-15-7-13(3-6-16(15)26-27(19,24)25)9-23(22-10-20-21-11-22)14-4-1-12(8-18)2-5-14/h1-7,10-11H,9H2,(H2,19,24,25)
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Article
PubMed
n/an/a 20n/an/an/an/a7.537



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 46: 3193-6 (2003)


Article DOI: 10.1021/jm034033b
BindingDB Entry DOI: 10.7270/Q2HT2MHG
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (human))
BDBM10020
PNG
((2-bromo-4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl...)
Show SMILES NS(=O)(=O)Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1Br
Show InChI InChI=1S/C16H13BrN6O3S/c17-15-7-13(3-6-16(15)26-27(19,24)25)9-23(22-10-20-21-11-22)14-4-1-12(8-18)2-5-14/h1-7,10-11H,9H2,(H2,19,24,25)
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Article
PubMed
n/an/a 39n/an/an/an/a7.537



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 46: 3193-6 (2003)


Article DOI: 10.1021/jm034033b
BindingDB Entry DOI: 10.7270/Q2HT2MHG
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (human))
BDBM10021
PNG
((3-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]m...)
Show SMILES NS(=O)(=O)Oc1cccc(CN(c2ccc(cc2)C#N)n2cnnc2)c1
Show InChI InChI=1S/C16H14N6O3S/c17-9-13-4-6-15(7-5-13)22(21-11-19-20-12-21)10-14-2-1-3-16(8-14)25-26(18,23)24/h1-8,11-12H,10H2,(H2,18,23,24)
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Article
PubMed
n/an/a 5.13E+3n/an/an/an/a7.537



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 46: 3193-6 (2003)


Article DOI: 10.1021/jm034033b
BindingDB Entry DOI: 10.7270/Q2HT2MHG
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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Article
PubMed
n/an/a 1.5n/an/an/an/a7.537



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))
BDBM24305
PNG
(Letrozole derivative, 34 | {2-chloro-4-[(4-cyanoph...)
Show SMILES NS(=O)(=O)Oc1ccc(cc1Cl)C(c1ccc(cc1)C#N)n1cncn1
Show InChI InChI=1S/C16H12ClN5O3S/c17-14-7-13(5-6-15(14)25-26(19,23)24)16(22-10-20-9-21-22)12-3-1-11(8-18)2-4-12/h1-7,9-10,16H,(H2,19,23,24)
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Article
PubMed
n/an/a 920n/an/an/an/a7.537



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))
BDBM24300
PNG
((3-{[3-(sulfamoyloxy)phenyl](1H-1,2,4-triazol-1-yl...)
Show SMILES NS(=O)(=O)Oc1cccc(c1)C(c1cccc(OS(N)(=O)=O)c1)n1cncn1
Show InChI InChI=1S/C15H15N5O6S2/c16-27(21,22)25-13-5-1-3-11(7-13)15(20-10-18-9-19-20)12-4-2-6-14(8-12)26-28(17,23)24/h1-10,15H,(H2,16,21,22)(H2,17,23,24)
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Article
PubMed
n/an/an/an/an/an/an/a7.537



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))
BDBM24301
PNG
((2-bromo-4-{[3-bromo-4-(sulfamoyloxy)phenyl](1H-1,...)
Show SMILES NS(=O)(=O)Oc1ccc(cc1Br)C(c1ccc(OS(N)(=O)=O)c(Br)c1)n1cncn1
Show InChI InChI=1S/C15H13Br2N5O6S2/c16-11-5-9(1-3-13(11)27-29(18,23)24)15(22-8-20-7-21-22)10-2-4-14(12(17)6-10)28-30(19,25)26/h1-8,15H,(H2,18,23,24)(H2,19,25,26)
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Article
PubMed
n/an/a 476n/an/an/an/a7.537



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))
BDBM24302
PNG
((2-methoxy-5-{[4-methoxy-3-(sulfamoyloxy)phenyl](1...)
Show SMILES COc1ccc(cc1OS(N)(=O)=O)C(c1ccc(OC)c(OS(N)(=O)=O)c1)n1cncn1
Show InChI InChI=1S/C17H19N5O8S2/c1-27-13-5-3-11(7-15(13)29-31(18,23)24)17(22-10-20-9-21-22)12-4-6-14(28-2)16(8-12)30-32(19,25)26/h3-10,17H,1-2H3,(H2,18,23,24)(H2,19,25,26)
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Article
PubMed
n/an/an/an/an/an/an/a7.537



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))
BDBM24303
PNG
((2-methoxy-4-{[3-methoxy-4-(sulfamoyloxy)phenyl](1...)
Show SMILES COc1cc(ccc1OS(N)(=O)=O)C(c1ccc(OS(N)(=O)=O)c(OC)c1)n1cncn1
Show InChI InChI=1S/C17H19N5O8S2/c1-27-15-7-11(3-5-13(15)29-31(18,23)24)17(22-10-20-9-21-22)12-4-6-14(16(8-12)28-2)30-32(19,25)26/h3-10,17H,1-2H3,(H2,18,23,24)(H2,19,25,26)
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Article
PubMed
n/an/an/an/an/an/an/a7.537



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))
BDBM24304
PNG
(Letrozole derivative, 28 | {4-[(4-cyanophenyl)(1H-...)
Show SMILES NS(=O)(=O)Oc1ccc(cc1)C(c1ccc(cc1)C#N)n1cncn1
Show InChI InChI=1S/C16H13N5O3S/c17-9-12-1-3-13(4-2-12)16(21-11-19-10-20-21)14-5-7-15(8-6-14)24-25(18,22)23/h1-8,10-11,16H,(H2,18,22,23)
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Article
PubMed
n/an/an/an/an/an/an/a7.537



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))
BDBM13062
PNG
((4-{[4-(sulfamoyloxy)phenyl](1H-1,2,4-triazol-1-yl...)
Show SMILES NS(=O)(=O)Oc1ccc(cc1)C(c1ccc(OS(N)(=O)=O)cc1)n1cncn1
Show InChI InChI=1S/C15H15N5O6S2/c16-27(21,22)25-13-5-1-11(2-6-13)15(20-10-18-9-19-20)12-3-7-14(8-4-12)26-28(17,23)24/h1-10,15H,(H2,16,21,22)(H2,17,23,24)
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/a7.537



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