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9 similar compounds to monomer 50396087

Compile data set for download or QSAR
Wt: 286.3
BDBM50142515
Wt: 304.2
BDBM50396088
Wt: 304.2
BDBM50396089
Wt: 318.3
BDBM50396091
Wt: 322.2
BDBM50396092
Wt: 338.7
BDBM50396093
Wt: 304.2
BDBM50396094
Wt: 302.3
BDBM50396096
Wt: 286.3
BDBM50396090

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50142515,50396088,50396089,50396091,50396092,50396093,50396094,50396096,50396090   
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
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50142515
PNG
(CHEMBL44747 | N-Benzothiazol-2-yl-3,4-dihydroxy-be...)
Show SMILES Oc1ccc(cc1O)C(=O)Nc1nc2ccccc2s1
Show InChI InChI=1S/C14H10N2O3S/c17-10-6-5-8(7-11(10)18)13(19)16-14-15-9-3-1-2-4-12(9)20-14/h1-7,17-18H,(H,15,16,19)
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PubMed
n/an/a 1.69E+4n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibitory concentration against relaxation activity of DNA topoisomerase I by detecting the conversion of supercoiled pBR322 DNA to its relaxed form


Bioorg Med Chem Lett 14: 1669-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.060
BindingDB Entry DOI: 10.7270/Q2GX4B0X
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50396090
PNG
(CHEMBL2170758)
Show SMILES Oc1cccc(c1)C(=O)Nc1nc2ccc(O)cc2s1
Show InChI InChI=1S/C14H10N2O3S/c17-9-3-1-2-8(6-9)13(19)16-14-15-11-5-4-10(18)7-12(11)20-14/h1-7,17-18H,(H,15,16,19)
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n/an/a 243n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50396089
PNG
(CHEMBL2170759)
Show SMILES Oc1ccc2nc(NC(=O)c3cccc(O)c3F)sc2c1
Show InChI InChI=1S/C14H9FN2O3S/c15-12-8(2-1-3-10(12)19)13(20)17-14-16-9-5-4-7(18)6-11(9)21-14/h1-6,18-19H,(H,16,17,20)
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n/an/a 73n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 in human T47D cells using unlabelled and [2,4,6,7-3H]estrone as substrate preincubated for 30 mins prior to substrate addit...


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50396090
PNG
(CHEMBL2170758)
Show SMILES Oc1cccc(c1)C(=O)Nc1nc2ccc(O)cc2s1
Show InChI InChI=1S/C14H10N2O3S/c17-9-3-1-2-8(6-9)13(19)16-14-15-11-5-4-10(18)7-12(11)20-14/h1-7,17-18H,(H,15,16,19)
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n/an/a 245n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 in human T47D cells using unlabelled and [2,4,6,7-3H]estrone as substrate preincubated for 30 mins prior to substrate addit...


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50396091
PNG
(CHEMBL2170749)
Show SMILES CN(C(=O)c1ccc(F)c(O)c1)c1nc2ccc(O)cc2s1
Show InChI InChI=1S/C15H11FN2O3S/c1-18(14(21)8-2-4-10(16)12(20)6-8)15-17-11-5-3-9(19)7-13(11)22-15/h2-7,19-20H,1H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50396092
PNG
(CHEMBL2170748)
Show SMILES Oc1ccc2nc(NC(=O)c3ccc(F)c(O)c3F)sc2c1
Show InChI InChI=1S/C14H8F2N2O3S/c15-8-3-2-7(11(16)12(8)20)13(21)18-14-17-9-4-1-6(19)5-10(9)22-14/h1-5,19-20H,(H,17,18,21)
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n/an/a 541n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50396093
PNG
(CHEMBL2170746)
Show SMILES Oc1ccc2nc(NC(=O)c3c(F)ccc(O)c3Cl)sc2c1
Show InChI InChI=1S/C14H8ClFN2O3S/c15-12-9(20)4-2-7(16)11(12)13(21)18-14-17-8-3-1-6(19)5-10(8)22-14/h1-5,19-20H,(H,17,18,21)
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n/an/a 469n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50396088
PNG
(CHEMBL2170742)
Show SMILES Oc1ccc(F)c(c1)C(=O)Nc1nc2ccc(O)cc2s1
Show InChI InChI=1S/C14H9FN2O3S/c15-10-3-1-7(18)5-9(10)13(20)17-14-16-11-4-2-8(19)6-12(11)21-14/h1-6,18-19H,(H,16,17,20)
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n/an/a 3.80E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50396094
PNG
(CHEMBL2170760)
Show SMILES Oc1ccc2nc(NC(=O)c3ccc(F)c(O)c3)sc2c1
Show InChI InChI=1S/C14H9FN2O3S/c15-9-3-1-7(5-11(9)19)13(20)17-14-16-10-4-2-8(18)6-12(10)21-14/h1-6,18-19H,(H,16,17,20)
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n/an/a 1.48E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50396089
PNG
(CHEMBL2170759)
Show SMILES Oc1ccc2nc(NC(=O)c3cccc(O)c3F)sc2c1
Show InChI InChI=1S/C14H9FN2O3S/c15-12-8(2-1-3-10(12)19)13(20)17-14-16-9-5-4-7(18)6-11(9)21-14/h1-6,18-19H,(H,16,17,20)
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n/an/a 1.22E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50396090
PNG
(CHEMBL2170758)
Show SMILES Oc1cccc(c1)C(=O)Nc1nc2ccc(O)cc2s1
Show InChI InChI=1S/C14H10N2O3S/c17-9-3-1-2-8(6-9)13(19)16-14-15-11-5-4-10(18)7-12(11)20-14/h1-7,17-18H,(H,15,16,19)
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n/an/a 9.26E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50396091
PNG
(CHEMBL2170749)
Show SMILES CN(C(=O)c1ccc(F)c(O)c1)c1nc2ccc(O)cc2s1
Show InChI InChI=1S/C15H11FN2O3S/c1-18(14(21)8-2-4-10(16)12(20)6-8)15-17-11-5-3-9(19)7-13(11)22-15/h2-7,19-20H,1H3
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n/an/a 667n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50396092
PNG
(CHEMBL2170748)
Show SMILES Oc1ccc2nc(NC(=O)c3ccc(F)c(O)c3F)sc2c1
Show InChI InChI=1S/C14H8F2N2O3S/c15-8-3-2-7(11(16)12(8)20)13(21)18-14-17-9-4-1-6(19)5-10(9)22-14/h1-5,19-20H,(H,17,18,21)
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n/an/a 99n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50396093
PNG
(CHEMBL2170746)
Show SMILES Oc1ccc2nc(NC(=O)c3c(F)ccc(O)c3Cl)sc2c1
Show InChI InChI=1S/C14H8ClFN2O3S/c15-12-9(20)4-2-7(16)11(12)13(21)18-14-17-8-3-1-6(19)5-10(8)22-14/h1-5,19-20H,(H,17,18,21)
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n/an/a 221n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50396096
PNG
(CHEMBL2170744)
Show SMILES Oc1ccc2nc(NC(=O)c3cc(O)cc(O)c3)sc2c1
Show InChI InChI=1S/C14H10N2O4S/c17-8-1-2-11-12(6-8)21-14(15-11)16-13(20)7-3-9(18)5-10(19)4-7/h1-6,17-19H,(H,15,16,20)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50396088
PNG
(CHEMBL2170742)
Show SMILES Oc1ccc(F)c(c1)C(=O)Nc1nc2ccc(O)cc2s1
Show InChI InChI=1S/C14H9FN2O3S/c15-10-3-1-7(18)5-9(10)13(20)17-14-16-11-4-2-8(19)6-12(11)21-14/h1-6,18-19H,(H,16,17,20)
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n/an/a 112n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50396094
PNG
(CHEMBL2170760)
Show SMILES Oc1ccc2nc(NC(=O)c3ccc(F)c(O)c3)sc2c1
Show InChI InChI=1S/C14H9FN2O3S/c15-9-3-1-7(5-11(9)19)13(20)17-14-16-10-4-2-8(18)6-12(10)21-14/h1-6,18-19H,(H,16,17,20)
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n/an/a 171n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50396089
PNG
(CHEMBL2170759)
Show SMILES Oc1ccc2nc(NC(=O)c3cccc(O)c3F)sc2c1
Show InChI InChI=1S/C14H9FN2O3S/c15-12-8(2-1-3-10(12)19)13(20)17-14-16-9-5-4-7(18)6-11(9)21-14/h1-6,18-19H,(H,16,17,20)
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n/an/a 29n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50396088
PNG
(CHEMBL2170742)
Show SMILES Oc1ccc(F)c(c1)C(=O)Nc1nc2ccc(O)cc2s1
Show InChI InChI=1S/C14H9FN2O3S/c15-10-3-1-7(18)5-9(10)13(20)17-14-16-11-4-2-8(19)6-12(11)21-14/h1-6,18-19H,(H,16,17,20)
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n/an/a 152n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 in human T47D cells using unlabelled and [2,4,6,7-3H]estrone as substrate preincubated for 30 mins prior to substrate addit...


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair