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Compile Data Set for Download or QSAR

Found 26 hits with Last Name = 'kubi?ski' and Initial = 'k'   
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
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n/an/a 0.0650n/an/an/an/an/an/a



Gdansk University of Technology

Curated by ChEMBL


Assay Description
Inhibition of STS in human MCF7 cells


Eur J Med Chem 128: 79-87 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.028
BindingDB Entry DOI: 10.7270/Q2KD21WV
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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n/an/a 0.0650n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02220
BindingDB Entry DOI: 10.7270/Q20869C9
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50604012
PNG
(CHEMBL5199004)
Show SMILES NS(=O)(=O)Oc1ccc(cc1)-c1cn(nn1)-c1cc(F)cc(F)c1
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n/an/a 0.210n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02220
BindingDB Entry DOI: 10.7270/Q20869C9
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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n/an/a 1.10n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02220
BindingDB Entry DOI: 10.7270/Q20869C9
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50604011
PNG
(CHEMBL5205557)
Show SMILES NS(=O)(=O)Oc1ccc(cc1)-c1cn(nn1)-c1cccc(F)c1
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n/an/a 1.70n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02220
BindingDB Entry DOI: 10.7270/Q20869C9
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50604009
PNG
(CHEMBL5170413)
Show SMILES NS(=O)(=O)Oc1ccc(cc1)-c1cn(nn1)-c1cc(Cl)cc(Cl)c1
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n/an/a 1.70n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02220
BindingDB Entry DOI: 10.7270/Q20869C9
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50604008
PNG
(CHEMBL5179747)
Show SMILES NS(=O)(=O)Oc1ccc(cc1)-c1cn(nn1)-c1cccc(Cl)c1
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n/an/a 1.90n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02220
BindingDB Entry DOI: 10.7270/Q20869C9
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50604010
PNG
(CHEMBL5169672)
Show SMILES NS(=O)(=O)Oc1ccc(cc1)-c1cn(nn1)-c1ccc(c(c1C(F)(F)F)C(F)(F)F)C(F)(F)F
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n/an/a 3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02220
BindingDB Entry DOI: 10.7270/Q20869C9
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50604012
PNG
(CHEMBL5199004)
Show SMILES NS(=O)(=O)Oc1ccc(cc1)-c1cn(nn1)-c1cc(F)cc(F)c1
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n/an/a 37n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02220
BindingDB Entry DOI: 10.7270/Q20869C9
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50501546
PNG
(CHEMBL4099477)
Show SMILES NS(=O)(=O)Oc1ccc2cc(-c3ccc(NC(=O)Cc4cc(ccc4C(F)(F)F)C(F)(F)F)cc3)c(=O)oc2c1
Show InChI InChI=1S/C25H16F6N2O6S/c26-24(27,28)16-4-8-20(25(29,30)31)15(9-16)11-22(34)33-17-5-1-13(2-6-17)19-10-14-3-7-18(39-40(32,36)37)12-21(14)38-23(19)35/h1-10,12H,11H2,(H,33,34)(H2,32,36,37)
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n/an/a 180n/an/an/an/an/an/a



Gdansk University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human placenta steroid sulfatase using p-nitrophenyl sulfate as substrate after 15 mins


Eur J Med Chem 128: 79-87 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.028
BindingDB Entry DOI: 10.7270/Q2KD21WV
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50501553
PNG
(CHEMBL4087245)
Show SMILES NS(=O)(=O)Oc1ccc2cc(-c3ccc(NC(=O)c4ccc(F)c(F)c4)cc3)c(=O)oc2c1
Show InChI InChI=1S/C22H14F2N2O6S/c23-18-8-4-14(10-19(18)24)21(27)26-15-5-1-12(2-6-15)17-9-13-3-7-16(32-33(25,29)30)11-20(13)31-22(17)28/h1-11H,(H,26,27)(H2,25,29,30)
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n/an/a 180n/an/an/an/an/an/a



Gdansk University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human placenta steroid sulfatase using p-nitrophenyl sulfate as substrate after 15 mins


Eur J Med Chem 128: 79-87 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.028
BindingDB Entry DOI: 10.7270/Q2KD21WV
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50501554
PNG
(CHEMBL4097394)
Show SMILES NS(=O)(=O)Oc1ccc2cc(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)c(=O)oc2c1
Show InChI InChI=1S/C22H15FN2O6S/c23-16-6-1-14(2-7-16)21(26)25-17-8-3-13(4-9-17)19-11-15-5-10-18(31-32(24,28)29)12-20(15)30-22(19)27/h1-12H,(H,25,26)(H2,24,28,29)
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n/an/a 210n/an/an/an/an/an/a



Gdansk University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human placenta steroid sulfatase using p-nitrophenyl sulfate as substrate after 15 mins


Eur J Med Chem 128: 79-87 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.028
BindingDB Entry DOI: 10.7270/Q2KD21WV
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50501552
PNG
(CHEMBL4105101)
Show SMILES NS(=O)(=O)Oc1ccc2cc(-c3ccc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)cc3)c(=O)oc2c1
Show InChI InChI=1S/C22H11F5N2O6S/c23-16-15(17(24)19(26)20(27)18(16)25)21(30)29-11-4-1-9(2-5-11)13-7-10-3-6-12(35-36(28,32)33)8-14(10)34-22(13)31/h1-8H,(H,29,30)(H2,28,32,33)
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n/an/a 230n/an/an/an/an/an/a



Gdansk University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human placenta steroid sulfatase using p-nitrophenyl sulfate as substrate after 15 mins


Eur J Med Chem 128: 79-87 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.028
BindingDB Entry DOI: 10.7270/Q2KD21WV
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50501551
PNG
(CHEMBL4094925)
Show SMILES NS(=O)(=O)Oc1ccc2cc(-c3ccc(NC(=O)Cc4ccccc4)cc3)c(=O)oc2c1
Show InChI InChI=1S/C23H18N2O6S/c24-32(28,29)31-19-11-8-17-13-20(23(27)30-21(17)14-19)16-6-9-18(10-7-16)25-22(26)12-15-4-2-1-3-5-15/h1-11,13-14H,12H2,(H,25,26)(H2,24,28,29)
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n/an/a 260n/an/an/an/an/an/a



Gdansk University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human placenta steroid sulfatase using p-nitrophenyl sulfate as substrate after 15 mins


Eur J Med Chem 128: 79-87 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.028
BindingDB Entry DOI: 10.7270/Q2KD21WV
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50501543
PNG
(CHEMBL4090835)
Show SMILES NS(=O)(=O)Oc1ccc2cc(-c3ccc(F)c(F)c3)c(=O)oc2c1
Show InChI InChI=1S/C15H9F2NO5S/c16-12-4-2-8(6-13(12)17)11-5-9-1-3-10(23-24(18,20)21)7-14(9)22-15(11)19/h1-7H,(H2,18,20,21)
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n/an/a 280n/an/an/an/an/an/a



Gdansk University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human placenta steroid sulfatase using p-nitrophenyl sulfate as substrate after 15 mins


Eur J Med Chem 128: 79-87 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.028
BindingDB Entry DOI: 10.7270/Q2KD21WV
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50501544
PNG
(CHEMBL4061169)
Show SMILES NS(=O)(=O)Oc1ccc2cc(-c3ccc(cc3)[N+]([O-])=O)c(=O)oc2c1
Show InChI InChI=1S/C15H10N2O7S/c16-25(21,22)24-12-6-3-10-7-13(15(18)23-14(10)8-12)9-1-4-11(5-2-9)17(19)20/h1-8H,(H2,16,21,22)
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n/an/a 290n/an/an/an/an/an/a



Gdansk University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human placenta steroid sulfatase using p-nitrophenyl sulfate as substrate after 15 mins


Eur J Med Chem 128: 79-87 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.028
BindingDB Entry DOI: 10.7270/Q2KD21WV
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50501542
PNG
(CHEMBL4069839)
Show SMILES NS(=O)(=O)Oc1ccc2cc(-c3cc(F)c(F)c(F)c3)c(=O)oc2c1
Show InChI InChI=1S/C15H8F3NO5S/c16-11-4-8(5-12(17)14(11)18)10-3-7-1-2-9(24-25(19,21)22)6-13(7)23-15(10)20/h1-6H,(H2,19,21,22)
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n/an/a 290n/an/an/an/an/an/a



Gdansk University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human placenta steroid sulfatase using p-nitrophenyl sulfate as substrate after 15 mins


Eur J Med Chem 128: 79-87 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.028
BindingDB Entry DOI: 10.7270/Q2KD21WV
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50501549
PNG
(CHEMBL4102669)
Show SMILES NS(=O)(=O)Oc1ccc2cc(-c3ccc(NC(=O)Cc4cc(F)c(F)c(F)c4)cc3)c(=O)oc2c1
Show InChI InChI=1S/C23H15F3N2O6S/c24-18-7-12(8-19(25)22(18)26)9-21(29)28-15-4-1-13(2-5-15)17-10-14-3-6-16(34-35(27,31)32)11-20(14)33-23(17)30/h1-8,10-11H,9H2,(H,28,29)(H2,27,31,32)
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n/an/a 300n/an/an/an/an/an/a



Gdansk University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human placenta steroid sulfatase using p-nitrophenyl sulfate as substrate after 15 mins


Eur J Med Chem 128: 79-87 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.028
BindingDB Entry DOI: 10.7270/Q2KD21WV
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50501548
PNG
(CHEMBL4078408)
Show SMILES NS(=O)(=O)Oc1ccc2cc(-c3ccc(NC(=O)Cc4c(F)c(F)c(F)c(F)c4F)cc3)c(=O)oc2c1
Show InChI InChI=1S/C23H13F5N2O6S/c24-18-15(19(25)21(27)22(28)20(18)26)9-17(31)30-12-4-1-10(2-5-12)14-7-11-3-6-13(36-37(29,33)34)8-16(11)35-23(14)32/h1-8H,9H2,(H,30,31)(H2,29,33,34)
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Gdansk University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human placenta steroid sulfatase using p-nitrophenyl sulfate as substrate after 15 mins


Eur J Med Chem 128: 79-87 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.028
BindingDB Entry DOI: 10.7270/Q2KD21WV
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50501550
PNG
(CHEMBL4067505)
Show SMILES NS(=O)(=O)Oc1ccc2cc(-c3ccc(NC(=O)Cc4ccc(F)c(F)c4)cc3)c(=O)oc2c1
Show InChI InChI=1S/C23H16F2N2O6S/c24-19-8-1-13(9-20(19)25)10-22(28)27-16-5-2-14(3-6-16)18-11-15-4-7-17(33-34(26,30)31)12-21(15)32-23(18)29/h1-9,11-12H,10H2,(H,27,28)(H2,26,30,31)
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n/an/a 360n/an/an/an/an/an/a



Gdansk University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human placenta steroid sulfatase using p-nitrophenyl sulfate as substrate after 15 mins


Eur J Med Chem 128: 79-87 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.028
BindingDB Entry DOI: 10.7270/Q2KD21WV
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50501547
PNG
(CHEMBL4072568)
Show SMILES NS(=O)(=O)Oc1ccc2cc(-c3ccc(NC(=O)Cc4ccc(F)c(c4)C(F)(F)F)cc3)c(=O)oc2c1
Show InChI InChI=1S/C24H16F4N2O6S/c25-20-8-1-13(9-19(20)24(26,27)28)10-22(31)30-16-5-2-14(3-6-16)18-11-15-4-7-17(36-37(29,33)34)12-21(15)35-23(18)32/h1-9,11-12H,10H2,(H,30,31)(H2,29,33,34)
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n/an/a 380n/an/an/an/an/an/a



Gdansk University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human placenta steroid sulfatase using p-nitrophenyl sulfate as substrate after 15 mins


Eur J Med Chem 128: 79-87 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.028
BindingDB Entry DOI: 10.7270/Q2KD21WV
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 380n/an/an/an/an/an/a



Gdansk University of Technology

Curated by ChEMBL


Assay Description
Inhibition of placental microsomal steroid sulfatase (unknown origin)


Eur J Med Chem 128: 79-87 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.028
BindingDB Entry DOI: 10.7270/Q2KD21WV
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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UniChem

Similars

Article
PubMed
n/an/a 380n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02220
BindingDB Entry DOI: 10.7270/Q20869C9
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50501545
PNG
(CHEMBL4083045)
Show SMILES NS(=O)(=O)Oc1ccc2cc(-c3ccc(NC(=O)Cc4ccc(OC(F)(F)F)cc4)cc3)c(=O)oc2c1
Show InChI InChI=1S/C24H17F3N2O7S/c25-24(26,27)35-18-8-1-14(2-9-18)11-22(30)29-17-6-3-15(4-7-17)20-12-16-5-10-19(36-37(28,32)33)13-21(16)34-23(20)31/h1-10,12-13H,11H2,(H,29,30)(H2,28,32,33)
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n/an/a 440n/an/an/an/an/an/a



Gdansk University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human placenta steroid sulfatase using p-nitrophenyl sulfate as substrate after 15 mins


Eur J Med Chem 128: 79-87 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.028
BindingDB Entry DOI: 10.7270/Q2KD21WV
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50501555
PNG
(CHEMBL4079364)
Show SMILES NS(=O)(=O)Oc1ccc2cc(-c3ccc(NC(=O)c4ccccc4)cc3)c(=O)oc2c1
Show InChI InChI=1S/C22H16N2O6S/c23-31(27,28)30-18-11-8-16-12-19(22(26)29-20(16)13-18)14-6-9-17(10-7-14)24-21(25)15-4-2-1-3-5-15/h1-13H,(H,24,25)(H2,23,27,28)
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n/an/a 490n/an/an/an/an/an/a



Gdansk University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human placenta steroid sulfatase using p-nitrophenyl sulfate as substrate after 15 mins


Eur J Med Chem 128: 79-87 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.028
BindingDB Entry DOI: 10.7270/Q2KD21WV
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50501541
PNG
(CHEMBL11548)
Show SMILES NS(=O)(=O)Oc1ccc2C=CCOc2c1 |c:9|
Show InChI InChI=1S/C9H9NO4S/c10-15(11,12)14-8-4-3-7-2-1-5-13-9(7)6-8/h1-4,6H,5H2,(H2,10,11,12)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
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Article
PubMed
n/an/a 1.38E+3n/an/an/an/an/an/a



Gdansk University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human placenta steroid sulfatase using p-nitrophenyl sulfate as substrate after 15 mins


Eur J Med Chem 128: 79-87 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.028
BindingDB Entry DOI: 10.7270/Q2KD21WV
More data for this
Ligand-Target Pair