new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 137 hits with Last Name = 'adamski' and Initial = 'j'   
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))
BDBM50197827
PNG
(CHEMBL3894507)
Show SMILES CN(C)c1cccc(c1)-c1cccc(n1)C(=O)c1ccc(F)c(O)c1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
PubMed
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))
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
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))
BDBM50197835
PNG
(CHEMBL3965905)
Show SMILES Oc1cccc(c1)-c1cccc(n1)C(=O)c1ccc(F)c(O)c1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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))
BDBM50197841
PNG
(CHEMBL3932068)
Show SMILES Cc1cc(ccc1O)-c1ccc(nc1-c1ccc(O)c(C)c1)C(=O)c1ccc(F)c(O)c1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents

Article
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
Estrogen receptor


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/a 12.5n/an/an/an/an/an/a



Institute of Experimental Genetics

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from human ERalpha expressed in SF9 cells


Bioorg Med Chem Lett 19: 6740-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.113
BindingDB Entry DOI: 10.7270/Q20K29HP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50311679
PNG
((4bR,10bS,12aS)-8-hydroxy-12a-methyl-9-phenethyl-2...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(CCc5ccccc5)cc34)[C@@H]1CCCC2=O |r|
Show InChI InChI=1S/C27H32O2/c1-27-15-14-21-22(24(27)8-5-9-26(27)29)13-12-19-17-25(28)20(16-23(19)21)11-10-18-6-3-2-4-7-18/h2-4,6-7,16-17,21-22,24,28H,5,8-15H2,1H3/t21-,22+,24-,27-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Institute of Experimental Genetics

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human 17beta-HSD1 expressed in Escherichia coli by scintillation counting


Bioorg Med Chem Lett 19: 6740-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.113
BindingDB Entry DOI: 10.7270/Q20K29HP
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50357463
PNG
(CHEMBL1917897)
Show SMILES Oc1ccc(cc1C(F)(F)F)-c1ccc2c(O)cccc2c1
Show InChI InChI=1S/C17H11F3O2/c18-17(19,20)14-9-11(5-7-16(14)22)10-4-6-13-12(8-10)2-1-3-15(13)21/h1-9,21-22H
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [3H]E2 as substrate by HPLC analysis


J Med Chem 54: 7547-57 (2011)


Article DOI: 10.1021/jm2008453
BindingDB Entry DOI: 10.7270/Q2M045V0
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50311682
PNG
((4bR,10bS,12aS)-8-hydroxy-12a-methyl-2,3,4,4a,5,6,...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CCCC2=O |r|
Show InChI InChI=1S/C19H24O2/c1-19-10-9-15-14-8-6-13(20)11-12(14)5-7-16(15)17(19)3-2-4-18(19)21/h6,8,11,15-17,20H,2-5,7,9-10H2,1H3/t15-,16-,17+,19+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Institute of Experimental Genetics

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human 17beta-HSD1 expressed in Escherichia coli by scintillation counting


Bioorg Med Chem Lett 19: 6740-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.113
BindingDB Entry DOI: 10.7270/Q20K29HP
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50357463
PNG
(CHEMBL1917897)
Show SMILES Oc1ccc(cc1C(F)(F)F)-c1ccc2c(O)cccc2c1
Show InChI InChI=1S/C17H11F3O2/c18-17(19,20)14-9-11(5-7-16(14)22)10-4-6-13-12(8-10)2-1-3-15(13)21/h1-9,21-22H
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 31n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human MDA-MB-231 cells after 3.5 hrs by HPLC analysis


J Med Chem 54: 7547-57 (2011)


Article DOI: 10.1021/jm2008453
BindingDB Entry DOI: 10.7270/Q2M045V0
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50311678
PNG
((4bR,10bS,12aS)-9-allyl-8-hydroxy-12a-methyl-2,3,4...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(CC=C)cc34)[C@@H]1CCCC2=O |r|
Show InChI InChI=1S/C22H28O2/c1-3-5-15-12-18-14(13-20(15)23)8-9-17-16(18)10-11-22(2)19(17)6-4-7-21(22)24/h3,12-13,16-17,19,23H,1,4-11H2,2H3/t16-,17+,19-,22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Institute of Experimental Genetics

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human 17beta-HSD1 expressed in Escherichia coli by scintillation counting


Bioorg Med Chem Lett 19: 6740-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.113
BindingDB Entry DOI: 10.7270/Q20K29HP
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50267362
PNG
((2'S,8R,9S,13S,14S)-3-hydroxy-13-methyl-4',5',6,7,...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]21CCCC(=O)O1 |r|
Show InChI InChI=1S/C22H28O3/c1-21-11-8-17-16-7-5-15(23)13-14(16)4-6-18(17)19(21)9-12-22(21)10-2-3-20(24)25-22/h5,7,13,17-19,23H,2-4,6,8-12H2,1H3/t17-,18-,19+,21+,22+/m1/s1
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 (unknown origin)


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50311673
PNG
((8R,9S,13S,14S,16S)-2-chloro-16-fluoro-3-hydroxy-1...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(Cl)cc34)[C@@H]1C[C@H](F)C2=O |r|
Show InChI InChI=1S/C18H20ClFO2/c1-18-5-4-10-11(13(18)8-15(20)17(18)22)3-2-9-6-16(21)14(19)7-12(9)10/h6-7,10-11,13,15,21H,2-5,8H2,1H3/t10-,11+,13-,15-,18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Institute of Experimental Genetics

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human 17beta-HSD1 expressed in Escherichia coli by scintillation counting


Bioorg Med Chem Lett 19: 6740-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.113
BindingDB Entry DOI: 10.7270/Q20K29HP
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
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50311667
PNG
((8R,9S,13S,14S)-3-hydroxy-13-methyl-2-phenethyl-7,...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(CCc5ccccc5)cc34)[C@@H]1CCC2=O |r|
Show InChI InChI=1S/C26H30O2/c1-26-14-13-20-21(23(26)11-12-25(26)28)10-9-18-16-24(27)19(15-22(18)20)8-7-17-5-3-2-4-6-17/h2-6,15-16,20-21,23,27H,7-14H2,1H3/t20-,21+,23-,26-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 47n/an/an/an/an/an/a



Institute of Experimental Genetics

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human 17beta-HSD1 expressed in Escherichia coli by scintillation counting


Bioorg Med Chem Lett 19: 6740-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.113
BindingDB Entry DOI: 10.7270/Q20K29HP
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50358116
PNG
(CHEMBL1915968)
Show SMILES CN1[C@H]([C@H](O)c2ccc(s2)-c2cccnc2)[C@@H](CC1=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H20N2O2S/c1-23-19(24)12-16(14-6-3-2-4-7-14)20(23)21(25)18-10-9-17(26-18)15-8-5-11-22-13-15/h2-11,13,16,20-21,25H,12H2,1H3/t16-,20-,21+/m0/s1
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 (unknown origin)


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50311666
PNG
((8R,9S,13S,14S)-3-hydroxy-13-methyl-2-(phenylethyn...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(cc34)C#Cc3ccccc3)[C@@H]1CCC2=O |r|
Show InChI InChI=1S/C26H26O2/c1-26-14-13-20-21(23(26)11-12-25(26)28)10-9-18-16-24(27)19(15-22(18)20)8-7-17-5-3-2-4-6-17/h2-6,15-16,20-21,23,27H,9-14H2,1H3/t20-,21+,23-,26-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 56n/an/an/an/an/an/a



Institute of Experimental Genetics

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human 17beta-HSD1 expressed in Escherichia coli by scintillation counting


Bioorg Med Chem Lett 19: 6740-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.113
BindingDB Entry DOI: 10.7270/Q20K29HP
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50426580
PNG
(CHEMBL2324690)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1cccc(C)c1
Show InChI InChI=1S/C20H19NO2S/c1-14-6-4-7-15(12-14)18-10-11-19(24-18)20(22)21(2)16-8-5-9-17(13-16)23-3/h4-13H,1-3H3
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 58n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50358118
PNG
(CHEMBL1915964)
Show SMILES COc1cccc(-c2ccc(s2)C(=O)N(C)Cc2cccc(O)c2)c1F
Show InChI InChI=1S/C20H18FNO3S/c1-22(12-13-5-3-6-14(23)11-13)20(24)18-10-9-17(26-18)15-7-4-8-16(25-2)19(15)21/h3-11,23H,12H2,1-2H3
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 61n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50426587
PNG
(CHEMBL2324361)
Show SMILES COc1cccc(-c2ccc(s2)C(=O)N(C)c2cccc(C)c2)c1F
Show InChI InChI=1S/C20H18FNO2S/c1-13-6-4-7-14(12-13)22(2)20(23)18-11-10-17(25-18)15-8-5-9-16(24-3)19(15)21/h4-12H,1-3H3
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 62n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50426579
PNG
(CHEMBL2324360)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1cccc(OC)c1F
Show InChI InChI=1S/C20H18FNO3S/c1-22(13-6-4-7-14(12-13)24-2)20(23)18-11-10-17(26-18)15-8-5-9-16(25-3)19(15)21/h4-12H,1-3H3
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 62n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50426581
PNG
(CHEMBL2324679)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1cccc(OC)c1
Show InChI InChI=1S/C20H19NO3S/c1-21(15-7-5-9-17(13-15)24-3)20(22)19-11-10-18(25-19)14-6-4-8-16(12-14)23-2/h4-13H,1-3H3
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 68n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50426580
PNG
(CHEMBL2324690)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1cccc(C)c1
Show InChI InChI=1S/C20H19NO2S/c1-14-6-4-7-15(12-14)18-10-11-19(24-18)20(22)21(2)16-8-5-9-17(13-16)23-3/h4-13H,1-3H3
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 73n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human MDA-MB-231 cells using [3H]E2 as substrate after 6 hrs by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 137 total )  |  Next  |  Last  >>
Jump to: