BindingDB logo
myBDB logout

PubMed code 24929290

Compile data set for download or QSAR
Found 19 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50330988
PNG
((3-hydroxyphenyl)(5-(3-hydroxyphenyl)thiophen-2-yl...)
Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)-c1cccc(O)c1
Show InChI InChI=1S/C17H12O3S/c18-13-5-1-3-11(9-13)15-7-8-16(21-15)17(20)12-4-2-6-14(19)10-12/h1-10,18-19H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD1 cytosolic fraction using [2, 4, 6, 7-3H]-estrone as substrate after 10 mins by HPLC analysis


Eur J Med Chem 82: 394-406 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.074
BindingDB Entry DOI: 10.7270/Q2KD20G2
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50023153
PNG
(CHEMBL3298951)
Show SMILES OCc1cccc(c1)-c1ccc(s1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C18H14O3S/c19-11-12-3-1-4-13(9-12)16-7-8-17(22-16)18(21)14-5-2-6-15(20)10-14/h1-10,19-20H,11H2
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 51n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 microsomal fraction using [2, 4, 6, 7-3H]-estradiol as substrate after 20 mins by HPLC analysis


Eur J Med Chem 82: 394-406 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.074
BindingDB Entry DOI: 10.7270/Q2KD20G2
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50023153
PNG
(CHEMBL3298951)
Show SMILES OCc1cccc(c1)-c1ccc(s1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C18H14O3S/c19-11-12-3-1-4-13(9-12)16-7-8-17(22-16)18(21)14-5-2-6-15(20)10-14/h1-10,19-20H,11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 90n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD1 cytosolic fraction using [2, 4, 6, 7-3H]-estrone as substrate after 10 mins by HPLC analysis


Eur J Med Chem 82: 394-406 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.074
BindingDB Entry DOI: 10.7270/Q2KD20G2
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50023157
PNG
(CHEMBL3298955)
Show SMILES Oc1cccc(Sc2ccc(s2)C(=O)c2cccc(O)c2)c1
Show InChI InChI=1S/C17H12O3S2/c18-12-4-1-3-11(9-12)17(20)15-7-8-16(22-15)21-14-6-2-5-13(19)10-14/h1-10,18-19H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 104n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD1 cytosolic fraction using [2, 4, 6, 7-3H]-estrone as substrate after 10 mins by HPLC analysis


Eur J Med Chem 82: 394-406 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.074
BindingDB Entry DOI: 10.7270/Q2KD20G2
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50330988
PNG
((3-hydroxyphenyl)(5-(3-hydroxyphenyl)thiophen-2-yl...)
Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)-c1cccc(O)c1
Show InChI InChI=1S/C17H12O3S/c18-13-5-1-3-11(9-13)15-7-8-16(21-15)17(20)12-4-2-6-14(19)10-12/h1-10,18-19H
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 109n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 microsomal fraction using [2, 4, 6, 7-3H]-estradiol as substrate after 20 mins by HPLC analysis


Eur J Med Chem 82: 394-406 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.074
BindingDB Entry DOI: 10.7270/Q2KD20G2
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50023155
PNG
(CHEMBL3298953)
Show SMILES CC(C)Oc1cccc(c1)-c1ccc(s1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C20H18O3S/c1-13(2)23-17-8-4-5-14(12-17)18-9-10-19(24-18)20(22)15-6-3-7-16(21)11-15/h3-13,21H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD1 cytosolic fraction using [2, 4, 6, 7-3H]-estrone as substrate after 10 mins by HPLC analysis


Eur J Med Chem 82: 394-406 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.074
BindingDB Entry DOI: 10.7270/Q2KD20G2
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50023156
PNG
(CHEMBL3298954)
Show SMILES CC(C)COc1cccc(c1)-c1ccc(s1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C21H20O3S/c1-14(2)13-24-18-8-4-5-15(12-18)19-9-10-20(25-19)21(23)16-6-3-7-17(22)11-16/h3-12,14,22H,13H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 152n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD1 cytosolic fraction using [2, 4, 6, 7-3H]-estrone as substrate after 10 mins by HPLC analysis


Eur J Med Chem 82: 394-406 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.074
BindingDB Entry DOI: 10.7270/Q2KD20G2
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50023154
PNG
(CHEMBL3298952)
Show SMILES OCc1ccc(cc1)-c1ccc(s1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C18H14O3S/c19-11-12-4-6-13(7-5-12)16-8-9-17(22-16)18(21)14-2-1-3-15(20)10-14/h1-10,19-20H,11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 157n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD1 cytosolic fraction using [2, 4, 6, 7-3H]-estrone as substrate after 10 mins by HPLC analysis


Eur J Med Chem 82: 394-406 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.074
BindingDB Entry DOI: 10.7270/Q2KD20G2
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM25851
PNG
(3-[5-(3-hydroxyphenyl)thiophen-2-yl]phenol | hydro...)
Show SMILES Oc1cccc(c1)-c1ccc(s1)-c1cccc(O)c1
Show InChI InChI=1S/C16H12O2S/c17-13-5-1-3-11(9-13)15-7-8-16(19-15)12-4-2-6-14(18)10-12/h1-10,17-18H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 173n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD1 cytosolic fraction using [2, 4, 6, 7-3H]-estrone as substrate after 10 mins by HPLC analysis


Eur J Med Chem 82: 394-406 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.074
BindingDB Entry DOI: 10.7270/Q2KD20G2
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50023154
PNG
(CHEMBL3298952)
Show SMILES OCc1ccc(cc1)-c1ccc(s1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C18H14O3S/c19-11-12-4-6-13(7-5-12)16-8-9-17(22-16)18(21)14-2-1-3-15(20)10-14/h1-10,19-20H,11H2
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 202n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 microsomal fraction using [2, 4, 6, 7-3H]-estradiol as substrate after 20 mins by HPLC analysis


Eur J Med Chem 82: 394-406 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.074
BindingDB Entry DOI: 10.7270/Q2KD20G2
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50023155
PNG
(CHEMBL3298953)
Show SMILES CC(C)Oc1cccc(c1)-c1ccc(s1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C20H18O3S/c1-13(2)23-17-8-4-5-14(12-17)18-9-10-19(24-18)20(22)15-6-3-7-16(21)11-15/h3-13,21H,1-2H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 224n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 microsomal fraction using [2, 4, 6, 7-3H]-estradiol as substrate after 20 mins by HPLC analysis


Eur J Med Chem 82: 394-406 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.074
BindingDB Entry DOI: 10.7270/Q2KD20G2
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50023157
PNG
(CHEMBL3298955)
Show SMILES Oc1cccc(Sc2ccc(s2)C(=O)c2cccc(O)c2)c1
Show InChI InChI=1S/C17H12O3S2/c18-12-4-1-3-11(9-12)17(20)15-7-8-16(22-15)21-14-6-2-5-13(19)10-14/h1-10,18-19H
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 245n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 microsomal fraction using [2, 4, 6, 7-3H]-estradiol as substrate after 20 mins by HPLC analysis


Eur J Med Chem 82: 394-406 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.074
BindingDB Entry DOI: 10.7270/Q2KD20G2
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50023159
PNG
(CHEMBL3298957)
Show SMILES Oc1ccc(cc1)C(=O)c1ccc(Sc2cccc(O)c2)s1
Show InChI InChI=1S/C17H12O3S2/c18-12-6-4-11(5-7-12)17(20)15-8-9-16(22-15)21-14-3-1-2-13(19)10-14/h1-10,18-19H
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 247n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 microsomal fraction using [2, 4, 6, 7-3H]-estradiol as substrate after 20 mins by HPLC analysis


Eur J Med Chem 82: 394-406 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.074
BindingDB Entry DOI: 10.7270/Q2KD20G2
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50023158
PNG
(CHEMBL3298956)
Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)S(=O)(=O)c1cccc(O)c1
Show InChI InChI=1S/C17H12O5S2/c18-12-4-1-3-11(9-12)17(20)15-7-8-16(23-15)24(21,22)14-6-2-5-13(19)10-14/h1-10,18-19H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 275n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD1 cytosolic fraction using [2, 4, 6, 7-3H]-estrone as substrate after 10 mins by HPLC analysis


Eur J Med Chem 82: 394-406 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.074
BindingDB Entry DOI: 10.7270/Q2KD20G2
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50023158
PNG
(CHEMBL3298956)
Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)S(=O)(=O)c1cccc(O)c1
Show InChI InChI=1S/C17H12O5S2/c18-12-4-1-3-11(9-12)17(20)15-7-8-16(23-15)24(21,22)14-6-2-5-13(19)10-14/h1-10,18-19H
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 283n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 microsomal fraction using [2, 4, 6, 7-3H]-estradiol as substrate after 20 mins by HPLC analysis


Eur J Med Chem 82: 394-406 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.074
BindingDB Entry DOI: 10.7270/Q2KD20G2
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50023160
PNG
(CHEMBL3297755)
Show SMILES Oc1ccc(cc1)C(=O)c1ccc(s1)S(=O)(=O)c1cccc(O)c1
Show InChI InChI=1S/C17H12O5S2/c18-12-6-4-11(5-7-12)17(20)15-8-9-16(23-15)24(21,22)14-3-1-2-13(19)10-14/h1-10,18-19H
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 389n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 microsomal fraction using [2, 4, 6, 7-3H]-estradiol as substrate after 20 mins by HPLC analysis


Eur J Med Chem 82: 394-406 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.074
BindingDB Entry DOI: 10.7270/Q2KD20G2
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50023160
PNG
(CHEMBL3297755)
Show SMILES Oc1ccc(cc1)C(=O)c1ccc(s1)S(=O)(=O)c1cccc(O)c1
Show InChI InChI=1S/C17H12O5S2/c18-12-6-4-11(5-7-12)17(20)15-8-9-16(23-15)24(21,22)14-3-1-2-13(19)10-14/h1-10,18-19H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 630n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD1 cytosolic fraction using [2, 4, 6, 7-3H]-estrone as substrate after 10 mins by HPLC analysis


Eur J Med Chem 82: 394-406 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.074
BindingDB Entry DOI: 10.7270/Q2KD20G2
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50023159
PNG
(CHEMBL3298957)
Show SMILES Oc1ccc(cc1)C(=O)c1ccc(Sc2cccc(O)c2)s1
Show InChI InChI=1S/C17H12O3S2/c18-12-6-4-11(5-7-12)17(20)15-8-9-16(22-15)21-14-3-1-2-13(19)10-14/h1-10,18-19H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 752n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD1 cytosolic fraction using [2, 4, 6, 7-3H]-estrone as substrate after 10 mins by HPLC analysis


Eur J Med Chem 82: 394-406 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.074
BindingDB Entry DOI: 10.7270/Q2KD20G2
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50023156
PNG
(CHEMBL3298954)
Show SMILES CC(C)COc1cccc(c1)-c1ccc(s1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C21H20O3S/c1-14(2)13-24-18-8-4-5-15(12-18)19-9-10-20(25-19)21(23)16-6-3-7-17(22)11-16/h3-12,14,22H,13H2,1-2H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 836n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 microsomal fraction using [2, 4, 6, 7-3H]-estradiol as substrate after 20 mins by HPLC analysis


Eur J Med Chem 82: 394-406 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.074
BindingDB Entry DOI: 10.7270/Q2KD20G2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%