BindingDB logo
myBDB logout

7 similar compounds to monomer 50190010

Compile data set for download or QSAR
Wt: 399.4
BDBM50190004
Wt: 381.4
BDBM50190006
Wt: 364.4
BDBM50190011
Wt: 381.4
BDBM50190013
Wt: 381.4
BDBM50190017
Wt: 381.4
BDBM50190018
Wt: 364.4
BDBM50358116

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50190004,50190006,50190011,50190013,50190017,50190018,50358116   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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
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
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 assessed as formation of [2,4,6,7-3H]-estrone using [2,4,6,7-3H]-estradiol as substrate after 20 mins by ra...


Eur J Med Chem 46: 5978-90 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.010
BindingDB Entry DOI: 10.7270/Q2PN9625
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50190004
PNG
((4R,5R)-4-(2-fluorophenyl)-5-((S)-(5-(4-fluorophen...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)-c2ccc(F)cc2)[C@H](CC1=O)c1ccccc1F
Show InChI InChI=1S/C22H19F2NO2S/c1-25-20(26)12-16(15-4-2-3-5-17(15)24)21(25)22(27)19-11-10-18(28-19)13-6-8-14(23)9-7-13/h2-11,16,21-22,27H,12H2,1H3/t16-,21-,22-/m1/s1
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 220n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 17beta-HSD2


Bioorg Med Chem Lett 16: 4965-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.041
BindingDB Entry DOI: 10.7270/Q2GB24V1
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50190006
PNG
((4R,5R)-5-((S)-(5-(4-fluorophenyl)thiophen-2-yl)(h...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)-c2ccc(F)cc2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C22H20FNO2S/c1-24-20(25)13-17(14-5-3-2-4-6-14)21(24)22(26)19-12-11-18(27-19)15-7-9-16(23)10-8-15/h2-12,17,21-22,26H,13H2,1H3/t17-,21-,22-/m1/s1
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of estradiol to estrone conversion in MG63 cells


Bioorg Med Chem Lett 16: 4965-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.041
BindingDB Entry DOI: 10.7270/Q2GB24V1
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50190011
PNG
((4R,5R)-5-((S)-hydroxy(5-(pyridin-3-yl)thiophen-2-...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)-c2cccnc2)[C@H](CC1=O)c1ccccc1
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-/m1/s1
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of estradiol to estrone conversion in MG63 cells


Bioorg Med Chem Lett 16: 4965-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.041
BindingDB Entry DOI: 10.7270/Q2GB24V1
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50190013
PNG
((4R,5R)-4-(4-fluorophenyl)-5-((S)-hydroxy(5-phenyl...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)-c2ccccc2)[C@H](CC1=O)c1ccc(F)cc1
Show InChI InChI=1S/C22H20FNO2S/c1-24-20(25)13-17(14-7-9-16(23)10-8-14)21(24)22(26)19-12-11-18(27-19)15-5-3-2-4-6-15/h2-12,17,21-22,26H,13H2,1H3/t17-,21-,22-/m1/s1
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 760n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 17beta-HSD2


Bioorg Med Chem Lett 16: 4965-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.041
BindingDB Entry DOI: 10.7270/Q2GB24V1
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50190017
PNG
((4R,5R)-4-(2-fluorophenyl)-5-((S)-hydroxy(5-phenyl...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)-c2ccccc2)[C@H](CC1=O)c1ccccc1F
Show InChI InChI=1S/C22H20FNO2S/c1-24-20(25)13-16(15-9-5-6-10-17(15)23)21(24)22(26)19-12-11-18(27-19)14-7-3-2-4-8-14/h2-12,16,21-22,26H,13H2,1H3/t16-,21-,22-/m1/s1
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 17beta-HSD2


Bioorg Med Chem Lett 16: 4965-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.041
BindingDB Entry DOI: 10.7270/Q2GB24V1
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
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
CHEMBL
PC cid
PC sid
UniChem

Similars

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 2


(Homo sapiens (Human))
BDBM50190004
PNG
((4R,5R)-4-(2-fluorophenyl)-5-((S)-(5-(4-fluorophen...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)-c2ccc(F)cc2)[C@H](CC1=O)c1ccccc1F
Show InChI InChI=1S/C22H19F2NO2S/c1-25-20(26)12-16(15-4-2-3-5-17(15)24)21(25)22(27)19-11-10-18(28-19)13-6-8-14(23)9-7-13/h2-11,16,21-22,27H,12H2,1H3/t16-,21-,22-/m1/s1
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of estradiol to estrone conversion in MG63 cells


Bioorg Med Chem Lett 16: 4965-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.041
BindingDB Entry DOI: 10.7270/Q2GB24V1
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50190006
PNG
((4R,5R)-5-((S)-(5-(4-fluorophenyl)thiophen-2-yl)(h...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)-c2ccc(F)cc2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C22H20FNO2S/c1-24-20(25)13-17(14-5-3-2-4-6-14)21(24)22(26)19-12-11-18(27-19)15-7-9-16(23)10-8-15/h2-12,17,21-22,26H,13H2,1H3/t17-,21-,22-/m1/s1
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 17beta-HSD2


Bioorg Med Chem Lett 16: 4965-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.041
BindingDB Entry DOI: 10.7270/Q2GB24V1
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50190011
PNG
((4R,5R)-5-((S)-hydroxy(5-(pyridin-3-yl)thiophen-2-...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)-c2cccnc2)[C@H](CC1=O)c1ccccc1
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-/m1/s1
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 17beta-HSD2


Bioorg Med Chem Lett 16: 4965-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.041
BindingDB Entry DOI: 10.7270/Q2GB24V1
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50190006
PNG
((4R,5R)-5-((S)-(5-(4-fluorophenyl)thiophen-2-yl)(h...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)-c2ccc(F)cc2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C22H20FNO2S/c1-24-20(25)13-17(14-5-3-2-4-6-14)21(24)22(26)19-12-11-18(27-19)15-7-9-16(23)10-8-15/h2-12,17,21-22,26H,13H2,1H3/t17-,21-,22-/m1/s1
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 17beta-HSD2


Bioorg Med Chem Lett 16: 4965-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.041
BindingDB Entry DOI: 10.7270/Q2GB24V1
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50190004
PNG
((4R,5R)-4-(2-fluorophenyl)-5-((S)-(5-(4-fluorophen...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)-c2ccc(F)cc2)[C@H](CC1=O)c1ccccc1F
Show InChI InChI=1S/C22H19F2NO2S/c1-25-20(26)12-16(15-4-2-3-5-17(15)24)21(25)22(27)19-11-10-18(28-19)13-6-8-14(23)9-7-13/h2-11,16,21-22,27H,12H2,1H3/t16-,21-,22-/m1/s1
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 17beta-HSD2


Bioorg Med Chem Lett 16: 4965-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.041
BindingDB Entry DOI: 10.7270/Q2GB24V1
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50190011
PNG
((4R,5R)-5-((S)-hydroxy(5-(pyridin-3-yl)thiophen-2-...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)-c2cccnc2)[C@H](CC1=O)c1ccccc1
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-/m1/s1
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 17beta-HSD2


Bioorg Med Chem Lett 16: 4965-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.041
BindingDB Entry DOI: 10.7270/Q2GB24V1
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50190018
PNG
((4R,5R)-5-((S)-(5-(3-fluorophenyl)thiophen-2-yl)(h...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)-c2cccc(F)c2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C22H20FNO2S/c1-24-20(25)13-17(14-6-3-2-4-7-14)21(24)22(26)19-11-10-18(27-19)15-8-5-9-16(23)12-15/h2-12,17,21-22,26H,13H2,1H3/t17-,21-,22-/m1/s1
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 580n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 17beta-HSD2


Bioorg Med Chem Lett 16: 4965-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.041
BindingDB Entry DOI: 10.7270/Q2GB24V1
More data for this
Ligand-Target Pair