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PubMed code 28406629

Compile data set for download or QSAR
Found 51 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
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50266402
PNG
(CHEMBL4071245)
Show SMILES NS(=O)(=O)Oc1ccc(cc1Cl)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C17H10ClF2NO5S2/c18-9-7-8(1-4-12(9)26-28(21,24)25)13-5-6-14(27-13)17(23)15-10(19)2-3-11(22)16(15)20/h1-7,22H,(H2,21,24,25)
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n/an/a 1.10n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 using [3H]-E1/E1 substrate and NADH after 10 mins by HPLC based radio-detection method

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50266400
PNG
(CHEMBL4072794)
Show SMILES NS(=O)(=O)Oc1ccc(-c2ccc(s2)C(=O)c2c(F)ccc(O)c2F)c(F)c1Cl
Show InChI InChI=1S/C17H9ClF3NO5S2/c18-14-10(27-29(22,25)26)4-1-7(15(14)20)11-5-6-12(28-11)17(24)13-8(19)2-3-9(23)16(13)21/h1-6,23H,(H2,22,25,26)
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n/an/a 1.40n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 using [3H]-E1/E1 substrate and NADH after 10 mins by HPLC based radio-detection method

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
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 1.90n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of STS in human T47D cells preincubated for 1 hr followed by addition of [3H]-E1S/E1S as substrate measured after 24 hrs by HPLC based rad...

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))		BDBM50266421
PNG
(CHEMBL4091943)
Show SMILES NS(=O)(=O)Oc1ccc(-c2ccc(s2)C(=O)c2c(F)ccc(O)c2F)c(F)c1
Show InChI InChI=1S/C17H10F3NO5S2/c18-10-3-4-12(22)16(20)15(10)17(23)14-6-5-13(27-14)9-2-1-8(7-11(9)19)26-28(21,24)25/h1-7,22H,(H2,21,24,25)
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n/an/a 2.10n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of STS in human T47D cells preincubated for 1 hr followed by addition of [3H]-E1S/E1S as substrate measured after 24 hrs by HPLC based rad...

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
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 2.10n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Irreversible inhibition of STS in human T47D cells preincubated for 2 hrs followed by compound washout and addition of [3H]-E1S/E1S as substrate meas...

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50266423
PNG
(CHEMBL4078356)
Show SMILES NS(=O)(=O)Oc1cccc(c1)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C17H11F2NO5S2/c18-11-4-5-12(21)16(19)15(11)17(22)14-7-6-13(26-14)9-2-1-3-10(8-9)25-27(20,23)24/h1-8,21H,(H2,20,23,24)
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n/an/a 2.20n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 using [3H]-E1/E1 substrate and NADH after 10 mins by HPLC based radio-detection method

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50266404
PNG
(CHEMBL4102153)
Show SMILES NS(=O)(=O)Oc1ccc(cc1F)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C17H10F3NO5S2/c18-9-2-3-11(22)16(20)15(9)17(23)14-6-5-13(27-14)8-1-4-12(10(19)7-8)26-28(21,24)25/h1-7,22H,(H2,21,24,25)
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n/an/a 2.5n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 using [3H]-E1/E1 substrate and NADH after 10 mins by HPLC based radio-detection method

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50266422
PNG
(CHEMBL4099681)
Show SMILES NS(=O)(=O)Oc1ccc(-c2ccc(s2)C(=O)c2c(F)ccc(O)c2F)c(F)c1F
Show InChI InChI=1S/C17H9F4NO5S2/c18-8-2-3-9(23)15(20)13(8)17(24)12-6-5-11(28-12)7-1-4-10(16(21)14(7)19)27-29(22,25)26/h1-6,23H,(H2,22,25,26)
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n/an/a 2.70n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 using [3H]-E1/E1 substrate and NADH after 10 mins by HPLC based radio-detection method

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50232166
PNG
(CHEMBL4071588)
Show SMILES Oc1ccc(cc1)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C17H10F2O3S/c18-11-5-6-12(21)16(19)15(11)17(22)14-8-7-13(23-14)9-1-3-10(20)4-2-9/h1-8,20-21H
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n/an/a 3.10n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 using [3H]-E1/E1 substrate and NADH after 10 mins by HPLC based radio-detection method

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))		BDBM50266421
PNG
(CHEMBL4091943)
Show SMILES NS(=O)(=O)Oc1ccc(-c2ccc(s2)C(=O)c2c(F)ccc(O)c2F)c(F)c1
Show InChI InChI=1S/C17H10F3NO5S2/c18-10-3-4-12(22)16(20)15(10)17(23)14-6-5-13(27-14)9-2-1-8(7-11(9)19)26-28(21,24)25/h1-7,22H,(H2,21,24,25)
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n/an/a 3.10n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Irreversible inhibition of STS in human T47D cells preincubated for 2 hrs followed by compound washout and addition of [3H]-E1S/E1S as substrate meas...

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))		BDBM50266410
PNG
(CHEMBL4064200)
Show SMILES NS(=O)(=O)Oc1ccc(-c2ccc(s2)C(=O)c2c(F)ccc(O)c2F)c(Cl)c1
Show InChI InChI=1S/C17H10ClF2NO5S2/c18-10-7-8(26-28(21,24)25)1-2-9(10)13-5-6-14(27-13)17(23)15-11(19)3-4-12(22)16(15)20/h1-7,22H,(H2,21,24,25)
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n/an/a 3.40n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of STS in human T47D cells preincubated for 1 hr followed by addition of [3H]-E1S/E1S as substrate measured after 24 hrs by HPLC based rad...

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50266411
PNG
(CHEMBL4076477)
Show SMILES NS(=O)(=O)Oc1ccc(cc1)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C17H11F2NO5S2/c18-11-5-6-12(21)16(19)15(11)17(22)14-8-7-13(26-14)9-1-3-10(4-2-9)25-27(20,23)24/h1-8,21H,(H2,20,23,24)
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n/an/a 3.40n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 using [3H]-E1/E1 substrate and NADH after 10 mins by HPLC based radio-detection method

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))		BDBM50266410
PNG
(CHEMBL4064200)
Show SMILES NS(=O)(=O)Oc1ccc(-c2ccc(s2)C(=O)c2c(F)ccc(O)c2F)c(Cl)c1
Show InChI InChI=1S/C17H10ClF2NO5S2/c18-10-7-8(26-28(21,24)25)1-2-9(10)13-5-6-14(27-13)17(23)15-11(19)3-4-12(22)16(15)20/h1-7,22H,(H2,21,24,25)
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n/an/a 3.90n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Irreversible inhibition of STS in human T47D cells preincubated for 2 hrs followed by compound washout and addition of [3H]-E1S/E1S as substrate meas...

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50266409
PNG
(CHEMBL4088890)
Show SMILES NS(=O)(=O)Oc1ccccc1-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C17H11F2NO5S2/c18-10-5-6-11(21)16(19)15(10)17(22)14-8-7-13(26-14)9-3-1-2-4-12(9)25-27(20,23)24/h1-8,21H,(H2,20,23,24)
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n/an/a 4.10n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD2 using [3H]-E2/E2 substrate and NAD+ after 20 mins by HPLC based radio-detection method

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))		BDBM50266404
PNG
(CHEMBL4102153)
Show SMILES NS(=O)(=O)Oc1ccc(cc1F)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C17H10F3NO5S2/c18-9-2-3-11(22)16(20)15(9)17(23)14-6-5-13(27-14)8-1-4-12(10(19)7-8)26-28(21,24)25/h1-7,22H,(H2,21,24,25)
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n/an/a 5.10n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of STS in human T47D cells preincubated for 1 hr followed by addition of [3H]-E1S/E1S as substrate measured after 24 hrs by HPLC based rad...

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))		BDBM50266404
PNG
(CHEMBL4102153)
Show SMILES NS(=O)(=O)Oc1ccc(cc1F)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C17H10F3NO5S2/c18-9-2-3-11(22)16(20)15(9)17(23)14-6-5-13(27-14)8-1-4-12(10(19)7-8)26-28(21,24)25/h1-7,22H,(H2,21,24,25)
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n/an/a 5.70n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Irreversible inhibition of STS in human T47D cells preincubated for 2 hrs followed by compound washout and addition of [3H]-E1S/E1S as substrate meas...

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50266403
PNG
(CHEMBL4066635)
Show SMILES NS(=O)(=O)Oc1cccc(-c2ccc(s2)C(=O)c2c(F)ccc(O)c2F)c1F
Show InChI InChI=1S/C17H10F3NO5S2/c18-9-4-5-10(22)16(20)14(9)17(23)13-7-6-12(27-13)8-2-1-3-11(15(8)19)26-28(21,24)25/h1-7,22H,(H2,21,24,25)
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n/an/a 7.10n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 using [3H]-E1/E1 substrate and NADH after 10 mins by HPLC based radio-detection method

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50232166
PNG
(CHEMBL4071588)
Show SMILES Oc1ccc(cc1)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C17H10F2O3S/c18-11-5-6-12(21)16(19)15(11)17(22)14-8-7-13(23-14)9-1-3-10(20)4-2-9/h1-8,20-21H
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n/an/a 7.90n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 in human T47D cells preincubated for 1 hr followed by addition of [3H]-E1/E1 as substrate measured after 30 mins by HPLC ba...

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50266410
PNG
(CHEMBL4064200)
Show SMILES NS(=O)(=O)Oc1ccc(-c2ccc(s2)C(=O)c2c(F)ccc(O)c2F)c(Cl)c1
Show InChI InChI=1S/C17H10ClF2NO5S2/c18-10-7-8(26-28(21,24)25)1-2-9(10)13-5-6-14(27-13)17(23)15-11(19)3-4-12(22)16(15)20/h1-7,22H,(H2,21,24,25)
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n/an/a 10n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 using [3H]-E1/E1 substrate and NADH after 10 mins by HPLC based radio-detection method

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50266421
PNG
(CHEMBL4091943)
Show SMILES NS(=O)(=O)Oc1ccc(-c2ccc(s2)C(=O)c2c(F)ccc(O)c2F)c(F)c1
Show InChI InChI=1S/C17H10F3NO5S2/c18-10-3-4-12(22)16(20)15(10)17(23)14-6-5-13(27-14)9-2-1-8(7-11(9)19)26-28(21,24)25/h1-7,22H,(H2,21,24,25)
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n/an/a 12n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 using [3H]-E1/E1 substrate and NADH after 10 mins by HPLC based radio-detection method

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50266404
PNG
(CHEMBL4102153)
Show SMILES NS(=O)(=O)Oc1ccc(cc1F)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C17H10F3NO5S2/c18-9-2-3-11(22)16(20)15(9)17(23)14-6-5-13(27-14)8-1-4-12(10(19)7-8)26-28(21,24)25/h1-7,22H,(H2,21,24,25)
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n/an/a 14n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD2 using [3H]-E2/E2 substrate and NAD+ after 20 mins by HPLC based radio-detection method

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
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 15n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal STS assessed as formation of E1 preincubated for 30 mins followed by addition of E1S as substrate measured a...

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))		BDBM50266402
PNG
(CHEMBL4071245)
Show SMILES NS(=O)(=O)Oc1ccc(cc1Cl)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C17H10ClF2NO5S2/c18-9-7-8(1-4-12(9)26-28(21,24)25)13-5-6-14(27-13)17(23)15-10(19)2-3-11(22)16(15)20/h1-7,22H,(H2,21,24,25)
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n/an/a 16n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Irreversible inhibition of STS in human T47D cells preincubated for 2 hrs followed by compound washout and addition of [3H]-E1S/E1S as substrate meas...

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))		BDBM50266402
PNG
(CHEMBL4071245)
Show SMILES NS(=O)(=O)Oc1ccc(cc1Cl)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C17H10ClF2NO5S2/c18-9-7-8(1-4-12(9)26-28(21,24)25)13-5-6-14(27-13)17(23)15-10(19)2-3-11(22)16(15)20/h1-7,22H,(H2,21,24,25)
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n/an/a 16n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of STS in human T47D cells preincubated for 1 hr followed by addition of [3H]-E1S/E1S as substrate measured after 24 hrs by HPLC based rad...

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50266403
PNG
(CHEMBL4066635)
Show SMILES NS(=O)(=O)Oc1cccc(-c2ccc(s2)C(=O)c2c(F)ccc(O)c2F)c1F
Show InChI InChI=1S/C17H10F3NO5S2/c18-9-4-5-10(22)16(20)14(9)17(23)13-7-6-12(27-13)8-2-1-3-11(15(8)19)26-28(21,24)25/h1-7,22H,(H2,21,24,25)
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n/an/a 17n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD2 using [3H]-E2/E2 substrate and NAD+ after 20 mins by HPLC based radio-detection method

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50266400
PNG
(CHEMBL4072794)
Show SMILES NS(=O)(=O)Oc1ccc(-c2ccc(s2)C(=O)c2c(F)ccc(O)c2F)c(F)c1Cl
Show InChI InChI=1S/C17H9ClF3NO5S2/c18-14-10(27-29(22,25)26)4-1-7(15(14)20)11-5-6-12(28-11)17(24)13-8(19)2-3-9(23)16(13)21/h1-6,23H,(H2,22,25,26)
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n/an/a 18n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD2 using [3H]-E2/E2 substrate and NAD+ after 20 mins by HPLC based radio-detection method

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))		BDBM50266410
PNG
(CHEMBL4064200)
Show SMILES NS(=O)(=O)Oc1ccc(-c2ccc(s2)C(=O)c2c(F)ccc(O)c2F)c(Cl)c1
Show InChI InChI=1S/C17H10ClF2NO5S2/c18-10-7-8(26-28(21,24)25)1-2-9(10)13-5-6-14(27-13)17(23)15-11(19)3-4-12(22)16(15)20/h1-7,22H,(H2,21,24,25)
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n/an/a 19n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal STS assessed as formation of E1 preincubated for 30 mins followed by addition of E1S as substrate measured a...

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50266410
PNG
(CHEMBL4064200)
Show SMILES NS(=O)(=O)Oc1ccc(-c2ccc(s2)C(=O)c2c(F)ccc(O)c2F)c(Cl)c1
Show InChI InChI=1S/C17H10ClF2NO5S2/c18-10-7-8(26-28(21,24)25)1-2-9(10)13-5-6-14(27-13)17(23)15-11(19)3-4-12(22)16(15)20/h1-7,22H,(H2,21,24,25)
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n/an/a 19n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD2 using [3H]-E2/E2 substrate and NAD+ after 20 mins by HPLC based radio-detection method

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50266404
PNG
(CHEMBL4102153)
Show SMILES NS(=O)(=O)Oc1ccc(cc1F)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C17H10F3NO5S2/c18-9-2-3-11(22)16(20)15(9)17(23)14-6-5-13(27-14)8-1-4-12(10(19)7-8)26-28(21,24)25/h1-7,22H,(H2,21,24,25)
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n/an/a 20n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 in human T47D cells preincubated for 1 hr followed by addition of [3H]-E1/E1 as substrate measured after 30 mins by HPLC ba...

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))		BDBM50266421
PNG
(CHEMBL4091943)
Show SMILES NS(=O)(=O)Oc1ccc(-c2ccc(s2)C(=O)c2c(F)ccc(O)c2F)c(F)c1
Show InChI InChI=1S/C17H10F3NO5S2/c18-10-3-4-12(22)16(20)15(10)17(23)14-6-5-13(27-14)9-2-1-8(7-11(9)19)26-28(21,24)25/h1-7,22H,(H2,21,24,25)
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n/an/a 20n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal STS assessed as formation of E1 preincubated for 30 mins followed by addition of E1S as substrate measured a...

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50266402
PNG
(CHEMBL4071245)
Show SMILES NS(=O)(=O)Oc1ccc(cc1Cl)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C17H10ClF2NO5S2/c18-9-7-8(1-4-12(9)26-28(21,24)25)13-5-6-14(27-13)17(23)15-10(19)2-3-11(22)16(15)20/h1-7,22H,(H2,21,24,25)
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n/an/a 22n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 in human T47D cells preincubated for 1 hr followed by addition of [3H]-E1/E1 as substrate measured after 30 mins by HPLC ba...

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50266421
PNG
(CHEMBL4091943)
Show SMILES NS(=O)(=O)Oc1ccc(-c2ccc(s2)C(=O)c2c(F)ccc(O)c2F)c(F)c1
Show InChI InChI=1S/C17H10F3NO5S2/c18-10-3-4-12(22)16(20)15(10)17(23)14-6-5-13(27-14)9-2-1-8(7-11(9)19)26-28(21,24)25/h1-7,22H,(H2,21,24,25)
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n/an/a 22n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD2 using [3H]-E2/E2 substrate and NAD+ after 20 mins by HPLC based radio-detection method

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50266409
PNG
(CHEMBL4088890)
Show SMILES NS(=O)(=O)Oc1ccccc1-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C17H11F2NO5S2/c18-10-5-6-11(21)16(19)15(10)17(22)14-8-7-13(26-14)9-3-1-2-4-12(9)25-27(20,23)24/h1-8,21H,(H2,20,23,24)
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n/an/a 23n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 using [3H]-E1/E1 substrate and NADH after 10 mins by HPLC based radio-detection method

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50266422
PNG
(CHEMBL4099681)
Show SMILES NS(=O)(=O)Oc1ccc(-c2ccc(s2)C(=O)c2c(F)ccc(O)c2F)c(F)c1F
Show InChI InChI=1S/C17H9F4NO5S2/c18-8-2-3-9(23)15(20)13(8)17(24)12-6-5-11(28-12)7-1-4-10(16(21)14(7)19)27-29(22,25)26/h1-6,23H,(H2,22,25,26)
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n/an/a 23n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD2 using [3H]-E2/E2 substrate and NAD+ after 20 mins by HPLC based radio-detection method

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50266411
PNG
(CHEMBL4076477)
Show SMILES NS(=O)(=O)Oc1ccc(cc1)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C17H11F2NO5S2/c18-11-5-6-12(21)16(19)15(11)17(22)14-8-7-13(26-14)9-1-3-10(4-2-9)25-27(20,23)24/h1-8,21H,(H2,20,23,24)
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n/an/a 28n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD2 using [3H]-E2/E2 substrate and NAD+ after 20 mins by HPLC based radio-detection method

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50266401
PNG
(CHEMBL4083248)
Show SMILES Cc1cc(ccc1OS(N)(=O)=O)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C18H13F2NO5S2/c1-9-8-10(2-5-13(9)26-28(21,24)25)14-6-7-15(27-14)18(23)16-11(19)3-4-12(22)17(16)20/h2-8,22H,1H3,(H2,21,24,25)
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n/an/a 31n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD2 using [3H]-E2/E2 substrate and NAD+ after 20 mins by HPLC based radio-detection method

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50266423
PNG
(CHEMBL4078356)
Show SMILES NS(=O)(=O)Oc1cccc(c1)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C17H11F2NO5S2/c18-11-4-5-12(21)16(19)15(11)17(22)14-7-6-13(26-14)9-2-1-3-10(8-9)25-27(20,23)24/h1-8,21H,(H2,20,23,24)
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n/an/a 31n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD2 using [3H]-E2/E2 substrate and NAD+ after 20 mins by HPLC based radio-detection method

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50266401
PNG
(CHEMBL4083248)
Show SMILES Cc1cc(ccc1OS(N)(=O)=O)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C18H13F2NO5S2/c1-9-8-10(2-5-13(9)26-28(21,24)25)14-6-7-15(27-14)18(23)16-11(19)3-4-12(22)17(16)20/h2-8,22H,1H3,(H2,21,24,25)
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n/an/a 32n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 using [3H]-E1/E1 substrate and NADH after 10 mins by HPLC based radio-detection method

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))		BDBM50266424
PNG
(CHEMBL4084183)
Show SMILES Cc1cc(OS(N)(=O)=O)ccc1-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C18H13F2NO5S2/c1-9-8-10(26-28(21,24)25)2-3-11(9)14-6-7-15(27-14)18(23)16-12(19)4-5-13(22)17(16)20/h2-8,22H,1H3,(H2,21,24,25)
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n/an/a 35n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal STS assessed as formation of E1 preincubated for 30 mins followed by addition of E1S as substrate measured a...

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50266402
PNG
(CHEMBL4071245)
Show SMILES NS(=O)(=O)Oc1ccc(cc1Cl)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C17H10ClF2NO5S2/c18-9-7-8(1-4-12(9)26-28(21,24)25)13-5-6-14(27-13)17(23)15-10(19)2-3-11(22)16(15)20/h1-7,22H,(H2,21,24,25)
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n/an/a 36n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD2 using [3H]-E2/E2 substrate and NAD+ after 20 mins by HPLC based radio-detection method

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50266424
PNG
(CHEMBL4084183)
Show SMILES Cc1cc(OS(N)(=O)=O)ccc1-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C18H13F2NO5S2/c1-9-8-10(26-28(21,24)25)2-3-11(9)14-6-7-15(27-14)18(23)16-12(19)4-5-13(22)17(16)20/h2-8,22H,1H3,(H2,21,24,25)
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n/an/a 40n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD2 using [3H]-E2/E2 substrate and NAD+ after 20 mins by HPLC based radio-detection method

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50266421
PNG
(CHEMBL4091943)
Show SMILES NS(=O)(=O)Oc1ccc(-c2ccc(s2)C(=O)c2c(F)ccc(O)c2F)c(F)c1
Show InChI InChI=1S/C17H10F3NO5S2/c18-10-3-4-12(22)16(20)15(10)17(23)14-6-5-13(27-14)9-2-1-8(7-11(9)19)26-28(21,24)25/h1-7,22H,(H2,21,24,25)
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n/an/a 42n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 in human T47D cells preincubated for 1 hr followed by addition of [3H]-E1/E1 as substrate measured after 30 mins by HPLC ba...

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50266424
PNG
(CHEMBL4084183)
Show SMILES Cc1cc(OS(N)(=O)=O)ccc1-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C18H13F2NO5S2/c1-9-8-10(26-28(21,24)25)2-3-11(9)14-6-7-15(27-14)18(23)16-12(19)4-5-13(22)17(16)20/h2-8,22H,1H3,(H2,21,24,25)
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n/an/a 44n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 using [3H]-E1/E1 substrate and NADH after 10 mins by HPLC based radio-detection method

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50266410
PNG
(CHEMBL4064200)
Show SMILES NS(=O)(=O)Oc1ccc(-c2ccc(s2)C(=O)c2c(F)ccc(O)c2F)c(Cl)c1
Show InChI InChI=1S/C17H10ClF2NO5S2/c18-10-7-8(26-28(21,24)25)1-2-9(10)13-5-6-14(27-13)17(23)15-11(19)3-4-12(22)16(15)20/h1-7,22H,(H2,21,24,25)
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n/an/a 61n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 in human T47D cells preincubated for 1 hr followed by addition of [3H]-E1/E1 as substrate measured after 30 mins by HPLC ba...

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50232166
PNG
(CHEMBL4071588)
Show SMILES Oc1ccc(cc1)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C17H10F2O3S/c18-11-5-6-12(21)16(19)15(11)17(22)14-8-7-13(23-14)9-1-3-10(20)4-2-9/h1-8,20-21H
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n/an/a 71n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD2 using [3H]-E2/E2 substrate and NAD+ after 20 mins by HPLC based radio-detection method

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))		BDBM50266404
PNG
(CHEMBL4102153)
Show SMILES NS(=O)(=O)Oc1ccc(cc1F)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C17H10F3NO5S2/c18-9-2-3-11(22)16(20)15(9)17(23)14-6-5-13(27-14)8-1-4-12(10(19)7-8)26-28(21,24)25/h1-7,22H,(H2,21,24,25)
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n/an/a 82n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal STS assessed as formation of E1 preincubated for 30 mins followed by addition of E1S as substrate measured a...

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))		BDBM50266422
PNG
(CHEMBL4099681)
Show SMILES NS(=O)(=O)Oc1ccc(-c2ccc(s2)C(=O)c2c(F)ccc(O)c2F)c(F)c1F
Show InChI InChI=1S/C17H9F4NO5S2/c18-8-2-3-9(23)15(20)13(8)17(24)12-6-5-11(28-12)7-1-4-10(16(21)14(7)19)27-29(22,25)26/h1-6,23H,(H2,22,25,26)
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n/an/a 106n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal STS assessed as formation of E1 preincubated for 30 mins followed by addition of E1S as substrate measured a...

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))		BDBM50266403
PNG
(CHEMBL4066635)
Show SMILES NS(=O)(=O)Oc1cccc(-c2ccc(s2)C(=O)c2c(F)ccc(O)c2F)c1F
Show InChI InChI=1S/C17H10F3NO5S2/c18-9-4-5-10(22)16(20)14(9)17(23)13-7-6-12(27-13)8-2-1-3-11(15(8)19)26-28(21,24)25/h1-7,22H,(H2,21,24,25)
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n/an/a 123n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal STS assessed as formation of E1 preincubated for 30 mins followed by addition of E1S as substrate measured a...

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))		BDBM50266402
PNG
(CHEMBL4071245)
Show SMILES NS(=O)(=O)Oc1ccc(cc1Cl)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C17H10ClF2NO5S2/c18-9-7-8(1-4-12(9)26-28(21,24)25)13-5-6-14(27-13)17(23)15-10(19)2-3-11(22)16(15)20/h1-7,22H,(H2,21,24,25)
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n/an/a 143n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal STS assessed as formation of E1 preincubated for 30 mins followed by addition of E1S as substrate measured a...

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))		BDBM50266401
PNG
(CHEMBL4083248)
Show SMILES Cc1cc(ccc1OS(N)(=O)=O)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C18H13F2NO5S2/c1-9-8-10(2-5-13(9)26-28(21,24)25)14-6-7-15(27-14)18(23)16-11(19)3-4-12(22)17(16)20/h2-8,22H,1H3,(H2,21,24,25)
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n/an/a 221n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal STS assessed as formation of E1 preincubated for 30 mins followed by addition of E1S as substrate measured a...

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))		BDBM50266400
PNG
(CHEMBL4072794)
Show SMILES NS(=O)(=O)Oc1ccc(-c2ccc(s2)C(=O)c2c(F)ccc(O)c2F)c(F)c1Cl
Show InChI InChI=1S/C17H9ClF3NO5S2/c18-14-10(27-29(22,25)26)4-1-7(15(14)20)11-5-6-12(28-11)17(24)13-8(19)2-3-9(23)16(13)21/h1-6,23H,(H2,22,25,26)
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n/an/a 245n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal STS assessed as formation of E1 preincubated for 30 mins followed by addition of E1S as substrate measured a...

J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%