BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 323.3
BDBM50360232
Wt: 305.3
BDBM50360234
Wt: 323.3
BDBM50360236
Wt: 217.1
BDBM50197844
Wt: 311.2
BDBM50197823
Wt: 300.3
BDBM50197824
Wt: 307.3
BDBM50197830
Wt: 293.2
BDBM50197833
Wt: 309.2
BDBM50197835
Wt: 309.2
BDBM50197825
Wt: 299.3
BDBM50197839
Wt: 315.3
BDBM50197840
Wt: 323.3
BDBM50197846
Wt: 309.2
BDBM50197861
Wt: 309.2
BDBM50197862
Displayed 1 to 15 (of 31 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 25 hits in this display   
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)
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
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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)
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/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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)
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/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

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)
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
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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)
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
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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)
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
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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)
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
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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)
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
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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)
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
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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)
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
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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)
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
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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)
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/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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)
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
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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)
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
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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)
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
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
UniChem

Patents


Similars

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
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
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
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
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 101n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human microsomal 17beta-HSD2 in cell-free system using [2,4,6,7-3H]E2 as substrate after 20 mins by radioflow detector


Eur J Med Chem 47: 1-17 (2012)


Article DOI: 10.1016/j.ejmech.2011.09.004
BindingDB Entry DOI: 10.7270/Q2QV3MZW
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
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
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
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 263n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human microsomal 17beta-HSD2 in cell-free system using [2,4,6,7-3H]E2 as substrate after 20 mins by radioflow detector


Eur J Med Chem 47: 1-17 (2012)


Article DOI: 10.1016/j.ejmech.2011.09.004
BindingDB Entry DOI: 10.7270/Q2QV3MZW
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(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
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 757n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human microsomal 17beta-HSD2 in cell-free system using [2,4,6,7-3H]E2 as substrate after 20 mins by radioflow detector


Eur J Med Chem 47: 1-17 (2012)


Article DOI: 10.1016/j.ejmech.2011.09.004
BindingDB Entry DOI: 10.7270/Q2QV3MZW
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
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
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.27E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic 17beta-HSD1 in cell-free system using [2,4,6,7-3H]E1 as substrate after 10 mins by radioflow detector


Eur J Med Chem 47: 1-17 (2012)


Article DOI: 10.1016/j.ejmech.2011.09.004
BindingDB Entry DOI: 10.7270/Q2QV3MZW
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.96E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic 17beta-HSD1 in cell-free system using [2,4,6,7-3H]E1 as substrate after 10 mins by radioflow detector


Eur J Med Chem 47: 1-17 (2012)


Article DOI: 10.1016/j.ejmech.2011.09.004
BindingDB Entry DOI: 10.7270/Q2QV3MZW
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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


(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
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 2.24E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic 17beta-HSD1 in cell-free system using [2,4,6,7-3H]E1 as substrate after 10 mins by radioflow detector


Eur J Med Chem 47: 1-17 (2012)


Article DOI: 10.1016/j.ejmech.2011.09.004
BindingDB Entry DOI: 10.7270/Q2QV3MZW
More data for this
Ligand-Target Pair