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Compile Data Set for Download or QSAR

Found 40 hits with Last Name = 'braun' and Initial = 'f'   
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))
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)


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
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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
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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))
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))
BDBM50197841
PNG
(CHEMBL3932068)
Show SMILES Cc1cc(ccc1O)-c1ccc(nc1-c1ccc(O)c(C)c1)C(=O)c1ccc(F)c(O)c1
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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))
BDBM50197843
PNG
(CHEMBL3941236)
Show SMILES Oc1cccc(c1F)-c1cccc(n1)C(=O)c1ccc(F)c(O)c1F
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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))
BDBM50197832
PNG
(CHEMBL3913249)
Show SMILES Oc1cccc(c1F)-c1cccc(n1)C(=O)c1ccc(F)c(O)c1O
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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))
BDBM50197831
PNG
(CHEMBL3949996)
Show SMILES Oc1cc(ccc1F)C(=O)c1cccc(n1)-c1cccc(O)c1F
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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))
BDBM50197865
PNG
(CHEMBL3938843)
Show SMILES Cc1cc(ccc1O)-c1nc(ccc1-c1cccc(O)c1F)C(=O)c1ccc(F)c(O)c1
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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
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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
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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))
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))
BDBM50197842
PNG
(CHEMBL3922253)
Show SMILES Oc1ccc(cc1F)-c1cccc(n1)C(=O)c1ccc(F)c(O)c1
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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))
BDBM50197830
PNG
(CHEMBL3962753)
Show SMILES Oc1cccc(c1)-c1cccc(n1)C(=O)c1cccc(O)c1O
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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
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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))
BDBM50197861
PNG
(CHEMBL3895144)
Show SMILES Oc1cc(ccc1F)C(=O)c1cccc(Oc2ccccc2)n1
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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))
BDBM50197833
PNG
(CHEMBL3974385)
Show SMILES Oc1cc(ccc1F)C(=O)c1cccc(n1)-c1ccccc1
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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
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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
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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
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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))
BDBM50197828
PNG
(CHEMBL3904073)
Show SMILES Oc1cccc(C(=O)c2cccc(-c3cccc(O)c3F)[n+]2[O-])c1O
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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
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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))
BDBM50197840
PNG
(CHEMBL3914131)
Show SMILES CN1CCN(CC1)c1cccc(n1)C(=O)c1ccc(F)c(O)c1
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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))
BDBM50197836
PNG
(CHEMBL3946020)
Show SMILES Oc1cc(ccc1F)C(=O)c1cccc(n1)-c1ccc(F)c(Cl)c1
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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
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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))
BDBM50197822
PNG
(CHEMBL3924502)
Show SMILES Oc1ccc(C(=O)c2cccc(n2)-c2cccc(O)c2F)c(O)c1O
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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
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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
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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))
BDBM50197826
PNG
(CHEMBL3923295)
Show SMILES Oc1ccc(O)c(C(=O)c2cccc(n2)-c2cccc(O)c2F)c1O
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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
PDB

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PubMed
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
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50360227
PNG
(CHEMBL1928180)
Show SMILES Cc1cc(ccc1O)-c1ccc(cc1)C(=O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C20H15FO3/c1-12-10-15(7-9-18(12)22)13-2-4-14(5-3-13)20(24)16-6-8-17(21)19(23)11-16/h2-11,22-23H,1H3
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n/an/a 40n/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of purified human placental microsomal 17beta-HSD2 using [3H]-E2 substrate and NAD+ by HPLC based radioactive displacement assay


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
Estradiol 17-beta-dehydrogenase 2


(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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n/an/a 100n/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of purified human placental microsomal 17beta-HSD2 using [3H]-E2 substrate and NAD+ by HPLC based radioactive displacement assay


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
Estradiol 17-beta-dehydrogenase 2


(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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n/an/a 260n/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of purified human placental microsomal 17beta-HSD2 using [3H]-E2 substrate and NAD+ by HPLC based radioactive displacement assay


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
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50360231
PNG
(CHEMBL1928185)
Show SMILES Cc1cc(ccc1O)-c1ccc(nc1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C19H15NO3/c1-12-9-13(6-8-18(12)22)15-5-7-17(20-11-15)19(23)14-3-2-4-16(21)10-14/h2-11,21-22H,1H3
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n/an/a 260n/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of purified human placental microsomal 17beta-HSD2 using [3H]-E2 substrate and NAD+ by HPLC based radioactive displacement assay


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
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50360227
PNG
(CHEMBL1928180)
Show SMILES Cc1cc(ccc1O)-c1ccc(cc1)C(=O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C20H15FO3/c1-12-10-15(7-9-18(12)22)13-2-4-14(5-3-13)20(24)16-6-8-17(21)19(23)11-16/h2-11,22-23H,1H3
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n/an/a 290n/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of purified human placental cytosolic 17beta-HSD1 using [3H]-E1 substrate and NADH by HPLC based radioactive displacement assay


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
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(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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n/an/a 1.27E+3n/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of purified human placental cytosolic 17beta-HSD1 using [3H]-E1 substrate and NADH by HPLC based radioactive displacement assay


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
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50360231
PNG
(CHEMBL1928185)
Show SMILES Cc1cc(ccc1O)-c1ccc(nc1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C19H15NO3/c1-12-9-13(6-8-18(12)22)15-5-7-17(20-11-15)19(23)14-3-2-4-16(21)10-14/h2-11,21-22H,1H3
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n/an/a 5.48E+3n/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of purified human placental cytosolic 17beta-HSD1 using [3H]-E1 substrate and NADH by HPLC based radioactive displacement assay


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
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(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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n/an/a 1.97E+4n/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of purified human placental cytosolic 17beta-HSD1 using [3H]-E1 substrate and NADH by HPLC based radioactive displacement assay


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