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Compile Data Set for Download or QSAR

Found 49 hits of ki data for polymerid = 50007140   
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 14


(Homo sapiens (Human))
BDBM50422425
PNG
(CHEMBL4175585)
Show SMILES Oc1cc(ccc1F)C(=C)c1cccc(n1)-c1cccc(O)c1F
Show InChI InChI=1S/C42H69N5O5/c1-50-37-23-22-35-32-38(42(49)52-40(35)33-37)41(48)47-31-19-30-45-28-17-8-7-15-26-43-24-13-5-3-4-6-14-25-44-27-16-9-10-18-29-46-34-36-20-11-12-21-39(36)51-2/h11-12,20-23,32-33,35,40,43-46H,3-10,13-19,24-31,34H2,1-2H3,(H,47,48)
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1.5n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Binding affinity to recombinant 17beta-HSD14 (unknown origin) expressed in Escherichia coli BL21 pLysS strain using E2 as substrate in presence of NA...


Eur J Med Chem 155: 61-76 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50422417
PNG
(CHEMBL4165659)
Show SMILES Oc1cc(ccc1F)C(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C46H84N6O2/c1-53-45-29-17-15-27-43(45)41-51-39-25-37-49-35-23-13-11-21-33-47-31-19-9-7-5-3-4-6-8-10-20-32-48-34-22-12-14-24-36-50-38-26-40-52-42-44-28-16-18-30-46(44)54-2/h15-18,27-30,47-52H,3-14,19-26,31-42H2,1-2H3
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6n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Binding affinity to recombinant 17beta-HSD14 (unknown origin) expressed in Escherichia coli BL21 pLysS strain using E2 as substrate in presence of NA...


Eur J Med Chem 155: 61-76 (2018)

More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50422422
PNG
(CHEMBL4164239)
Show SMILES Cc1cc(ccc1O)-c1ccc2ccc(nc2c1)C(=O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C40H71N5O2/c1-46-39-25-13-11-23-37(39)35-44-33-21-9-7-19-31-42-29-17-5-3-15-27-41-28-16-4-6-18-30-43-32-20-8-10-22-34-45-36-38-24-12-14-26-40(38)47-2/h11-14,23-26,41-45H,3-10,15-22,27-36H2,1-2H3
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6n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Binding affinity to recombinant 17beta-HSD14 (unknown origin) expressed in Escherichia coli BL21 pLysS strain using E2 as substrate in presence of NA...


Eur J Med Chem 155: 61-76 (2018)

More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50422397
PNG
(CHEMBL4176263)
Show SMILES Cc1ccc2nc(ccc2c1)C(=O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C46H72N4O2/c1-47-31-17-7-5-6-8-18-32-48(2)34-20-10-12-22-36-50(40-44-24-14-16-26-46(44)52-4)38-42-29-27-41(28-30-42)37-49(35-21-11-9-19-33-47)39-43-23-13-15-25-45(43)51-3/h13-16,23-30H,5-12,17-22,31-40H2,1-4H3
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6n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Binding affinity to recombinant 17beta-HSD14 (unknown origin) expressed in Escherichia coli BL21 pLysS strain using E2 as substrate in presence of NA...


Eur J Med Chem 155: 61-76 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50189884
PNG
(CHEMBL3827618)
Show SMILES Oc1ccc(cc1O)-c1cccc(n1)C(=O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C18H12FNO4/c19-12-6-4-11(9-16(12)22)18(24)14-3-1-2-13(20-14)10-5-7-15(21)17(23)8-10/h1-9,21-23H
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7n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...


J Med Chem 59: 10719-10737 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01436
BindingDB Entry DOI: 10.7270/Q2KH0Q9S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50189884
PNG
(CHEMBL3827618)
Show SMILES Oc1ccc(cc1O)-c1cccc(n1)C(=O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C18H12FNO4/c19-12-6-4-11(9-16(12)22)18(24)14-3-1-2-13(20-14)10-5-7-15(21)17(23)8-10/h1-9,21-23H
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7n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human 17-beta-HSD14 using estradiol as substrate after 15 mins by fluorimetric assay


J Med Chem 59: 6961-7 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00293
BindingDB Entry DOI: 10.7270/Q2R213B7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50197835
PNG
(CHEMBL3965905)
Show SMILES Oc1cccc(c1)-c1cccc(n1)C(=O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C18H12FNO3/c19-14-8-7-12(10-17(14)22)18(23)16-6-2-5-15(20-16)11-3-1-4-13(21)9-11/h1-10,21-22H
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7n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...


J Med Chem 59: 10719-10737 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01436
BindingDB Entry DOI: 10.7270/Q2KH0Q9S
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50197827
PNG
(CHEMBL3894507)
Show SMILES CN(C)c1cccc(c1)-c1cccc(n1)C(=O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C20H17FN2O2/c1-23(2)15-6-3-5-13(11-15)17-7-4-8-18(22-17)20(25)14-9-10-16(21)19(24)12-14/h3-12,24H,1-2H3
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7n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...


J Med Chem 59: 10719-10737 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01436
BindingDB Entry DOI: 10.7270/Q2KH0Q9S
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50197843
PNG
(CHEMBL3941236)
Show SMILES Oc1cccc(c1F)-c1cccc(n1)C(=O)c1ccc(F)c(O)c1F
Show InChI InChI=1S/C18H10F3NO3/c19-11-8-7-10(16(21)18(11)25)17(24)13-5-2-4-12(22-13)9-3-1-6-14(23)15(9)20/h1-8,23,25H
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9n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...


J Med Chem 59: 10719-10737 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01436
BindingDB Entry DOI: 10.7270/Q2KH0Q9S
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50422419
PNG
(CHEMBL4168004)
Show SMILES Oc1cc(ccc1F)C(=O)c1ccc2ccc(cc2n1)C#N
Show InChI InChI=1S/C42H68IN5O5/c1-51-37-20-18-34-31-38(42(50)53-40(34)32-37)41(49)48-29-17-28-46-26-15-8-7-13-24-44-22-11-5-3-4-6-12-23-45-25-14-9-10-16-27-47-33-35-30-36(43)19-21-39(35)52-2/h18-21,30-32,34,40,44-47H,3-17,22-29,33H2,1-2H3,(H,48,49)
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9n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Binding affinity to recombinant 17beta-HSD14 (unknown origin) expressed in Escherichia coli BL21 pLysS strain using E2 as substrate in presence of NA...


Eur J Med Chem 155: 61-76 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50197841
PNG
(CHEMBL3932068)
Show SMILES Cc1cc(ccc1O)-c1ccc(nc1-c1ccc(O)c(C)c1)C(=O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C26H20FNO4/c1-14-11-16(4-9-22(14)29)19-6-8-21(26(32)18-3-7-20(27)24(31)13-18)28-25(19)17-5-10-23(30)15(2)12-17/h3-13,29-31H,1-2H3
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9n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...


J Med Chem 59: 10719-10737 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01436
BindingDB Entry DOI: 10.7270/Q2KH0Q9S
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50422398
PNG
(CHEMBL4172463)
Show SMILES Oc1cc(ccc1F)C(=O)c1ccc2ccc(cc2n1)-c1nnn[nH]1
Show InChI InChI=1S/C45H72N4O2/c1-4-5-6-7-8-12-21-34-49(39-43-24-15-17-26-45(43)51-3)35-22-13-11-20-32-47-37-41-29-27-40(28-30-41)36-46-31-18-9-10-19-33-48-38-42-23-14-16-25-44(42)50-2/h14-17,23-30,46-48H,4-13,18-22,31-39H2,1-3H3
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10n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Binding affinity to recombinant 17beta-HSD14 (unknown origin) expressed in Escherichia coli BL21 pLysS strain using E2 as substrate in presence of NA...


Eur J Med Chem 155: 61-76 (2018)

More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50197832
PNG
(CHEMBL3913249)
Show SMILES Oc1cccc(c1F)-c1cccc(n1)C(=O)c1ccc(F)c(O)c1O
Show InChI InChI=1S/C18H11F2NO4/c19-11-8-7-10(17(24)18(11)25)16(23)13-5-2-4-12(21-13)9-3-1-6-14(22)15(9)20/h1-8,22,24-25H
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11n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...


J Med Chem 59: 10719-10737 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01436
BindingDB Entry DOI: 10.7270/Q2KH0Q9S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50422416
PNG
(CHEMBL4171902)
Show SMILES Oc1cc(ccc1F)C(=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C36H60N2O4/c1-39-35-23-13-11-21-33(35)31-37-25-15-5-9-19-29-41-27-17-7-3-4-8-18-28-42-30-20-10-6-16-26-38-32-34-22-12-14-24-36(34)40-2/h11-14,21-24,37-38H,3-10,15-20,25-32H2,1-2H3
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12n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Binding affinity to recombinant 17beta-HSD14 (unknown origin) expressed in Escherichia coli BL21 pLysS strain using E2 as substrate in presence of NA...


Eur J Med Chem 155: 61-76 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50197831
PNG
(CHEMBL3949996)
Show SMILES Oc1cc(ccc1F)C(=O)c1cccc(n1)-c1cccc(O)c1F
Show InChI InChI=1S/C18H11F2NO3/c19-12-8-7-10(9-16(12)23)18(24)14-5-2-4-13(21-14)11-3-1-6-15(22)17(11)20/h1-9,22-23H
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13n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...


J Med Chem 59: 10719-10737 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01436
BindingDB Entry DOI: 10.7270/Q2KH0Q9S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50197831
PNG
(CHEMBL3949996)
Show SMILES Oc1cc(ccc1F)C(=O)c1cccc(n1)-c1cccc(O)c1F
Show InChI InChI=1S/C18H11F2NO3/c19-12-8-7-10(9-16(12)23)18(24)14-5-2-4-13(21-14)11-3-1-6-15(22)17(11)20/h1-9,22-23H
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13n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Binding affinity to recombinant 17beta-HSD14 (unknown origin) expressed in Escherichia coli BL21 pLysS strain using E2 as substrate in presence of NA...


Eur J Med Chem 155: 61-76 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50197865
PNG
(CHEMBL3938843)
Show SMILES Cc1cc(ccc1O)-c1nc(ccc1-c1cccc(O)c1F)C(=O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C25H17F2NO4/c1-13-11-14(6-10-20(13)29)24-17(16-3-2-4-21(30)23(16)27)7-9-19(28-24)25(32)15-5-8-18(26)22(31)12-15/h2-12,29-31H,1H3
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15n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...


J Med Chem 59: 10719-10737 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01436
BindingDB Entry DOI: 10.7270/Q2KH0Q9S
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50197837
PNG
(CHEMBL3911402)
Show SMILES Oc1ccc(cc1F)-c1ccc(nc1)C(=O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C18H11F2NO3/c19-13-4-1-11(8-17(13)23)18(24)15-5-2-12(9-21-15)10-3-6-16(22)14(20)7-10/h1-9,22-23H
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17n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...


J Med Chem 59: 10719-10737 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01436
BindingDB Entry DOI: 10.7270/Q2KH0Q9S
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50197864
PNG
(CHEMBL3923116)
Show SMILES Oc1cccc(C(=O)c2cccc(c2)-c2cccc(O)c2F)c1O
Show InChI InChI=1S/C19H13FO4/c20-17-13(6-2-8-15(17)21)11-4-1-5-12(10-11)18(23)14-7-3-9-16(22)19(14)24/h1-10,21-22,24H
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21n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...


J Med Chem 59: 10719-10737 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01436
BindingDB Entry DOI: 10.7270/Q2KH0Q9S
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50422421
PNG
(CHEMBL4174579)
Show SMILES OC(=O)CNc1ccc2ccc(nc2c1)C(=O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C40H76N6O3/c1-2-22-39(48)46-38(35-36-23-25-37(47)26-24-36)40(49)45-34-21-33-44-32-20-14-13-19-31-43-29-17-11-8-6-4-3-5-7-10-16-28-42-30-18-12-9-15-27-41/h23-26,38,42-44,47H,2-22,27-35,41H2,1H3,(H,45,49)(H,46,48)/t38-/m1/s1
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23n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Binding affinity to recombinant 17beta-HSD14 (unknown origin) expressed in Escherichia coli BL21 pLysS strain using E2 as substrate in presence of NA...


Eur J Med Chem 155: 61-76 (2018)

More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50360232
PNG
(CHEMBL1928186)
Show SMILES Cc1cc(ccc1O)-c1ccc(nc1)C(=O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C19H14FNO3/c1-11-8-12(4-7-17(11)22)14-3-6-16(21-10-14)19(24)13-2-5-15(20)18(23)9-13/h2-10,22-23H,1H3
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24n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...


J Med Chem 59: 10719-10737 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01436
BindingDB Entry DOI: 10.7270/Q2KH0Q9S
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50360236
PNG
(CHEMBL1928172)
Show SMILES Cc1cc(ccc1O)-c1cccc(n1)C(=O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C19H14FNO3/c1-11-9-12(6-8-17(11)22)15-3-2-4-16(21-15)19(24)13-5-7-14(20)18(23)10-13/h2-10,22-23H,1H3
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26n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...


J Med Chem 59: 10719-10737 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01436
BindingDB Entry DOI: 10.7270/Q2KH0Q9S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50422420
PNG
(CHEMBL4164576)
Show SMILES Nc1ccc2ccc(nc2c1)C(=O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C30H56N8O2/c31-18-9-3-6-12-21-33-19-10-4-1-2-5-11-20-34-22-13-7-8-14-23-35-24-15-25-36-30(40)28-17-16-27(37-38-32)26-29(28)39/h16-17,26,33-35,39H,1-15,18-25,31H2,(H,36,40)
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34n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Binding affinity to recombinant 17beta-HSD14 (unknown origin) expressed in Escherichia coli BL21 pLysS strain using E2 as substrate in presence of NA...


Eur J Med Chem 155: 61-76 (2018)

More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50197842
PNG
(CHEMBL3922253)
Show SMILES Oc1ccc(cc1F)-c1cccc(n1)C(=O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C18H11F2NO3/c19-12-6-4-11(9-17(12)23)18(24)15-3-1-2-14(21-15)10-5-7-16(22)13(20)8-10/h1-9,22-23H
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36n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...


J Med Chem 59: 10719-10737 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01436
BindingDB Entry DOI: 10.7270/Q2KH0Q9S
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50422426
PNG
(CHEMBL4169325)
Show SMILES CN(c1ccc(F)c(O)c1)c1cccc(n1)-c1cccc(O)c1F
Show InChI InChI=1S/C48H84N6O4/c1-3-25-47(56)54-45(40-42-28-30-44(55)31-29-42)48(57)53-39-24-38-51-36-22-13-12-20-34-49-32-18-10-8-6-4-5-7-9-11-19-33-50-35-21-14-15-23-37-52-41-43-26-16-17-27-46(43)58-2/h16-17,26-31,45,49-52,55H,3-15,18-25,32-41H2,1-2H3,(H,53,57)(H,54,56)/t45-/m1/s1
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42n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Binding affinity to recombinant 17beta-HSD14 (unknown origin) expressed in Escherichia coli BL21 pLysS strain using E2 as substrate in presence of NA...


Eur J Med Chem 155: 61-76 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50197830
PNG
(CHEMBL3962753)
Show SMILES Oc1cccc(c1)-c1cccc(n1)C(=O)c1cccc(O)c1O
Show InChI InChI=1S/C18H13NO4/c20-12-5-1-4-11(10-12)14-7-3-8-15(19-14)17(22)13-6-2-9-16(21)18(13)23/h1-10,20-21,23H
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44n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...


J Med Chem 59: 10719-10737 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01436
BindingDB Entry DOI: 10.7270/Q2KH0Q9S
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50197846
PNG
(CHEMBL3954708)
Show SMILES Cc1ccc(cc1O)-c1cccc(n1)C(=O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C19H14FNO3/c1-11-5-6-12(9-17(11)22)15-3-2-4-16(21-15)19(24)13-7-8-14(20)18(23)10-13/h2-10,22-23H,1H3
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47n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...


J Med Chem 59: 10719-10737 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01436
BindingDB Entry DOI: 10.7270/Q2KH0Q9S
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50422427
PNG
(CHEMBL4177499)
Show SMILES Oc1cc(Nc2cccc(n2)-c2cccc(O)c2F)ccc1F
Show InChI InChI=1S/C44H62N4O2/c1-49-43-19-13-11-17-41(43)35-47-33-39-25-21-37(22-26-39)31-45-29-15-9-7-5-3-4-6-8-10-16-30-46-32-38-23-27-40(28-24-38)34-48-36-42-18-12-14-20-44(42)50-2/h11-14,17-28,45-48H,3-10,15-16,29-36H2,1-2H3
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47n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Binding affinity to recombinant 17beta-HSD14 (unknown origin) expressed in Escherichia coli BL21 pLysS strain using E2 as substrate in presence of NA...


Eur J Med Chem 155: 61-76 (2018)

More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50197861
PNG
(CHEMBL3895144)
Show SMILES Oc1cc(ccc1F)C(=O)c1cccc(Oc2ccccc2)n1
Show InChI InChI=1S/C18H12FNO3/c19-14-10-9-12(11-16(14)21)18(22)15-7-4-8-17(20-15)23-13-5-2-1-3-6-13/h1-11,21H
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50n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...


J Med Chem 59: 10719-10737 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01436
BindingDB Entry DOI: 10.7270/Q2KH0Q9S
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50422402
PNG
(CHEMBL4171183)
Show SMILES Oc1cc(Oc2cccc(n2)-c2cccc(O)c2F)ccc1F
Show InChI InChI=1S/C48H62N4O2/c1-53-47-17-9-7-15-45(47)37-51-33-13-5-3-11-31-49-35-39-19-23-41(24-20-39)43-27-29-44(30-28-43)42-25-21-40(22-26-42)36-50-32-12-4-6-14-34-52-38-46-16-8-10-18-48(46)54-2/h7-10,15-30,49-52H,3-6,11-14,31-38H2,1-2H3
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58n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Binding affinity to recombinant 17beta-HSD14 (unknown origin) expressed in Escherichia coli BL21 pLysS strain using E2 as substrate in presence of NA...


Eur J Med Chem 155: 61-76 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50197833
PNG
(CHEMBL3974385)
Show SMILES Oc1cc(ccc1F)C(=O)c1cccc(n1)-c1ccccc1
Show InChI InChI=1S/C18H12FNO2/c19-14-10-9-13(11-17(14)21)18(22)16-8-4-7-15(20-16)12-5-2-1-3-6-12/h1-11,21H
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63n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...


J Med Chem 59: 10719-10737 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01436
BindingDB Entry DOI: 10.7270/Q2KH0Q9S
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50197845
PNG
(CHEMBL3904245)
Show SMILES Oc1cccc(C(=O)c2cccc(n2)-c2cccc(O)c2F)c1O
Show InChI InChI=1S/C18H12FNO4/c19-16-10(4-1-8-14(16)21)12-6-3-7-13(20-12)17(23)11-5-2-9-15(22)18(11)24/h1-9,21-22,24H
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64n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...


J Med Chem 59: 10719-10737 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01436
BindingDB Entry DOI: 10.7270/Q2KH0Q9S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50197863
PNG
(CHEMBL3968387)
Show SMILES OCc1cc(nc(c1)-c1cccc(O)c1F)C(=O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C19H13F2NO4/c20-13-5-4-11(8-17(13)25)19(26)15-7-10(9-23)6-14(22-15)12-2-1-3-16(24)18(12)21/h1-8,23-25H,9H2
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86n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...


J Med Chem 59: 10719-10737 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01436
BindingDB Entry DOI: 10.7270/Q2KH0Q9S
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50197839
PNG
(CHEMBL3964826)
Show SMILES Oc1cc(ccc1F)C(=O)c1cccc(n1)-c1ccsc1
Show InChI InChI=1S/C16H10FNO2S/c17-12-5-4-10(8-15(12)19)16(20)14-3-1-2-13(18-14)11-6-7-21-9-11/h1-9,19H
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97n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...


J Med Chem 59: 10719-10737 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01436
BindingDB Entry DOI: 10.7270/Q2KH0Q9S
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50422418
PNG
(CHEMBL4175870)
Show SMILES Oc1ccc2nc(ccc2c1)C(=O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C40H72N6O2/c1-47-39-23-11-9-21-37(39)35-45-33-19-31-43-29-17-7-5-15-27-41-25-13-3-4-14-26-42-28-16-6-8-18-30-44-32-20-34-46-36-38-22-10-12-24-40(38)48-2/h9-12,21-24,41-46H,3-8,13-20,25-36H2,1-2H3
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119n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Binding affinity to recombinant 17beta-HSD14 (unknown origin) expressed in Escherichia coli BL21 pLysS strain using E2 as substrate in presence of NA...


Eur J Med Chem 155: 61-76 (2018)

More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50197828
PNG
(CHEMBL3904073)
Show SMILES Oc1cccc(C(=O)c2cccc(-c3cccc(O)c3F)[n+]2[O-])c1O
Show InChI InChI=1S/C18H12FNO5/c19-16-10(4-1-8-14(16)21)12-6-3-7-13(20(12)25)17(23)11-5-2-9-15(22)18(11)24/h1-9,21-22,24H
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132n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...


J Med Chem 59: 10719-10737 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01436
BindingDB Entry DOI: 10.7270/Q2KH0Q9S
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50197862
PNG
(CHEMBL3932242)
Show SMILES Oc1cccc(c1F)-c1cccc(n1)C(=O)c1ccccc1O
Show InChI InChI=1S/C18H12FNO3/c19-17-11(6-3-10-16(17)22)13-7-4-8-14(20-13)18(23)12-5-1-2-9-15(12)21/h1-10,21-22H
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135n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...


J Med Chem 59: 10719-10737 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01436
BindingDB Entry DOI: 10.7270/Q2KH0Q9S
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50197836
PNG
(CHEMBL3946020)
Show SMILES Oc1cc(ccc1F)C(=O)c1cccc(n1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C18H10ClF2NO2/c19-12-8-10(4-6-13(12)20)15-2-1-3-16(22-15)18(24)11-5-7-14(21)17(23)9-11/h1-9,23H
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190n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...


J Med Chem 59: 10719-10737 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01436
BindingDB Entry DOI: 10.7270/Q2KH0Q9S
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50197840
PNG
(CHEMBL3914131)
Show SMILES CN1CCN(CC1)c1cccc(n1)C(=O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C17H18FN3O2/c1-20-7-9-21(10-8-20)16-4-2-3-14(19-16)17(23)12-5-6-13(18)15(22)11-12/h2-6,11,22H,7-10H2,1H3
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190n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...


J Med Chem 59: 10719-10737 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01436
BindingDB Entry DOI: 10.7270/Q2KH0Q9S
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50197823
PNG
(CHEMBL3975350)
Show SMILES Oc1cc(ccc1F)C(=O)c1cccc(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H11F2NO2/c19-13-7-4-11(5-8-13)15-2-1-3-16(21-15)18(23)12-6-9-14(20)17(22)10-12/h1-10,22H
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221n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...


J Med Chem 59: 10719-10737 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01436
BindingDB Entry DOI: 10.7270/Q2KH0Q9S
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50360234
PNG
(CHEMBL1928188)
Show SMILES Cc1cc(ccc1O)-c1cccc(n1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C19H15NO3/c1-12-10-13(8-9-18(12)22)16-6-3-7-17(20-16)19(23)14-4-2-5-15(21)11-14/h2-11,21-22H,1H3
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245n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...


J Med Chem 59: 10719-10737 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01436
BindingDB Entry DOI: 10.7270/Q2KH0Q9S
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50422423
PNG
(CHEMBL4160081)
Show SMILES Oc1cccc(c1F)-c1cccc(n1)C(=O)Nc1ccc(F)c(O)c1
Show InChI InChI=1S/C34H64N6O3/c1-2-16-33(42)40-32(29-30-17-19-31(41)20-18-30)34(43)39-28-15-27-38-26-14-8-7-13-25-37-24-12-6-5-11-23-36-22-10-4-3-9-21-35/h17-20,32,36-38,41H,2-16,21-29,35H2,1H3,(H,39,43)(H,40,42)/t32-/m1/s1
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336n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Binding affinity to recombinant 17beta-HSD14 (unknown origin) expressed in Escherichia coli BL21 pLysS strain using E2 as substrate in presence of NA...


Eur J Med Chem 155: 61-76 (2018)

More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50197822
PNG
(CHEMBL3924502)
Show SMILES Oc1ccc(C(=O)c2cccc(n2)-c2cccc(O)c2F)c(O)c1O
Show InChI InChI=1S/C18H12FNO5/c19-15-9(3-1-6-13(15)21)11-4-2-5-12(20-11)16(23)10-7-8-14(22)18(25)17(10)24/h1-8,21-22,24-25H
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405n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...


J Med Chem 59: 10719-10737 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01436
BindingDB Entry DOI: 10.7270/Q2KH0Q9S
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50197824
PNG
(CHEMBL3983947)
Show SMILES Oc1cc(ccc1F)C(=O)c1cccc(n1)N1CCCCC1
Show InChI InChI=1S/C17H17FN2O2/c18-13-8-7-12(11-15(13)21)17(22)14-5-4-6-16(19-14)20-9-2-1-3-10-20/h4-8,11,21H,1-3,9-10H2
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407n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...


J Med Chem 59: 10719-10737 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01436
BindingDB Entry DOI: 10.7270/Q2KH0Q9S
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50197825
PNG
(CHEMBL1928057)
Show SMILES Oc1cccc(c1)C(=O)c1cccc(n1)-c1ccc(O)c(F)c1
Show InChI InChI=1S/C18H12FNO3/c19-14-10-11(7-8-17(14)22)15-5-2-6-16(20-15)18(23)12-3-1-4-13(21)9-12/h1-10,21-22H
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467n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...


J Med Chem 59: 10719-10737 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01436
BindingDB Entry DOI: 10.7270/Q2KH0Q9S
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50422399
PNG
(CHEMBL4167395)
Show SMILES Oc1cccc(c1F)-c1cccc(NC(=O)c2ccc(F)c(O)c2)n1
Show InChI InChI=1S/C19H18BrP/c1-21(20,17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3
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686n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Binding affinity to recombinant 17beta-HSD14 (unknown origin) expressed in Escherichia coli BL21 pLysS strain using E2 as substrate in presence of NA...


Eur J Med Chem 155: 61-76 (2018)

More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50197826
PNG
(CHEMBL3923295)
Show SMILES Oc1ccc(O)c(C(=O)c2cccc(n2)-c2cccc(O)c2F)c1O
Show InChI InChI=1S/C18H12FNO5/c19-16-9(3-1-6-13(16)22)10-4-2-5-11(20-10)17(24)15-12(21)7-8-14(23)18(15)25/h1-8,21-23,25H
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796n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...


J Med Chem 59: 10719-10737 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01436
BindingDB Entry DOI: 10.7270/Q2KH0Q9S
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50197844
PNG
(CHEMBL3975921)
Show SMILES Oc1cc(ccc1F)C(=O)c1ccccn1
Show InChI InChI=1S/C12H8FNO2/c13-9-5-4-8(7-11(9)15)12(16)10-3-1-2-6-14-10/h1-7,15H
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1.54E+3n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...


J Med Chem 59: 10719-10737 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01436
BindingDB Entry DOI: 10.7270/Q2KH0Q9S
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50422424
PNG
(CHEMBL4170719)
Show SMILES CN(C(=O)c1ccc(F)c(O)c1)c1cccc(n1)-c1cccc(O)c1F
Show InChI InChI=1S/C42H76N6O2/c1-49-41-25-13-11-23-39(41)37-47-35-21-33-45-31-19-9-7-17-29-43-27-15-5-3-4-6-16-28-44-30-18-8-10-20-32-46-34-22-36-48-38-40-24-12-14-26-42(40)50-2/h11-14,23-26,43-48H,3-10,15-22,27-38H2,1-2H3
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2.03E+3n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Binding affinity to recombinant 17beta-HSD14 (unknown origin) expressed in Escherichia coli BL21 pLysS strain using E2 as substrate in presence of NA...


Eur J Med Chem 155: 61-76 (2018)

More data for this
Ligand-Target Pair