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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = 'Estrogen sulfotransferase' AND taxid = 9823   
Target
(Institution)
LigandTarget
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
Estrogen sulfotransferase


(Sus scrofa)
BDBM50405380
PNG
(CHEMBL1627565)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4c3cccc4[N+]([O-])=O)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C18H23NO3/c1-18-10-9-12-11-3-2-4-16(19(21)22)14(11)6-5-13(12)15(18)7-8-17(18)20/h2-4,12-13,15,17,20H,5-10H2,1H3/t12-,13-,15+,17+,18+/m1/s1
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2.43E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of porcine endometrial estrogen sulfotransferase


J Med Chem 29: 692-8 (1986)

More data for this
Ligand-Target Pair
Estrogen sulfotransferase


(Sus scrofa)
BDBM50405376
PNG
(CHEMBL1627689)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4ccc(N)cc34)[C@@H]1CCC2O
Show InChI InChI=1S/C18H25NO/c1-18-9-8-13-14(16(18)6-7-17(18)20)5-3-11-2-4-12(19)10-15(11)13/h2,4,10,13-14,16-17,20H,3,5-9,19H2,1H3/t13-,14+,16-,17?,18-/m0/s1
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7.51E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of porcine endometrial estrogen sulfotransferase


J Med Chem 29: 692-8 (1986)

More data for this
Ligand-Target Pair
Estrogen sulfotransferase


(Sus scrofa)
BDBM50405378
PNG
(CHEMBL1627562)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4ccc(cc34)[N+]([O-])=O)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C18H23NO3/c1-18-9-8-13-14(16(18)6-7-17(18)20)5-3-11-2-4-12(19(21)22)10-15(11)13/h2,4,10,13-14,16-17,20H,3,5-9H2,1H3/t13-,14+,16-,17-,18-/m0/s1
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9.76E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of porcine endometrial estrogen sulfotransferase


J Med Chem 29: 692-8 (1986)

More data for this
Ligand-Target Pair
Estrogen sulfotransferase


(Sus scrofa)
BDBM50405374
PNG
(CHEMBL1627977)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4c(F)cccc34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C18H23FO/c1-18-10-9-12-11-3-2-4-16(19)14(11)6-5-13(12)15(18)7-8-17(18)20/h2-4,12-13,15,17,20H,5-10H2,1H3/t12-,13-,15+,17+,18+/m1/s1
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1.02E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of porcine endometrial estrogen sulfotransferase


J Med Chem 29: 692-8 (1986)

More data for this
Ligand-Target Pair
Estrogen sulfotransferase


(Sus scrofa)
BDBM50405382
PNG
(CHEMBL1627685)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4c(N)cccc34)[C@@H]1CCC2=O
Show InChI InChI=1S/C18H23NO/c1-18-10-9-12-11-3-2-4-16(19)14(11)6-5-13(12)15(18)7-8-17(18)20/h2-4,12-13,15H,5-10,19H2,1H3/t12-,13-,15+,18+/m1/s1
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1.05E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of porcine endometrial estrogen sulfotransferase


J Med Chem 29: 692-8 (1986)

More data for this
Ligand-Target Pair
Estrogen sulfotransferase


(Sus scrofa)
BDBM50405377
PNG
(CHEMBL1627697)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4c(N)cccc34)[C@@H]1CCC2O
Show InChI InChI=1S/C18H25NO/c1-18-10-9-12-11-3-2-4-16(19)14(11)6-5-13(12)15(18)7-8-17(18)20/h2-4,12-13,15,17,20H,5-10,19H2,1H3/t12-,13-,15+,17?,18+/m1/s1
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1.19E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of porcine endometrial estrogen sulfotransferase


J Med Chem 29: 692-8 (1986)

More data for this
Ligand-Target Pair
Estrogen sulfotransferase


(Sus scrofa)
BDBM50405383
PNG
(CHEMBL1627683)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4ccc(F)cc34)[C@@H]1CCC2O
Show InChI InChI=1S/C18H23FO/c1-18-9-8-13-14(16(18)6-7-17(18)20)5-3-11-2-4-12(19)10-15(11)13/h2,4,10,13-14,16-17,20H,3,5-9H2,1H3/t13-,14+,16-,17?,18-/m0/s1
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1.36E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of porcine endometrial estrogen sulfotransferase


J Med Chem 29: 692-8 (1986)

More data for this
Ligand-Target Pair
Estrogen sulfotransferase


(Sus scrofa)
BDBM50405381
PNG
(CHEMBL1627690)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4c(F)cccc34)[C@@H]1CCC2=O
Show InChI InChI=1S/C18H21FO/c1-18-10-9-12-11-3-2-4-16(19)14(11)6-5-13(12)15(18)7-8-17(18)20/h2-4,12-13,15H,5-10H2,1H3/t12-,13-,15+,18+/m1/s1
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1.48E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of porcine endometrial estrogen sulfotransferase


J Med Chem 29: 692-8 (1986)

More data for this
Ligand-Target Pair
Estrogen sulfotransferase


(Sus scrofa)
BDBM50405375
PNG
(CHEMBL194749)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4ccccc34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C18H24O/c1-18-11-10-14-13-5-3-2-4-12(13)6-7-15(14)16(18)8-9-17(18)19/h2-5,14-17,19H,6-11H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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1.63E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of porcine endometrial estrogen sulfotransferase


J Med Chem 29: 692-8 (1986)

More data for this
Ligand-Target Pair
Estrogen sulfotransferase


(Sus scrofa)
BDBM50405379
PNG
(CHEMBL1627698)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4ccccc34)[C@@H]1CCC2=O
Show InChI InChI=1S/C18H22O/c1-18-11-10-14-13-5-3-2-4-12(13)6-7-15(14)16(18)8-9-17(18)19/h2-5,14-16H,6-11H2,1H3/t14-,15-,16+,18+/m1/s1
KEGG

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PC cid
PC sid
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PubMed
2.51E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of porcine endometrial estrogen sulfotransferase


J Med Chem 29: 692-8 (1986)

More data for this
Ligand-Target Pair