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4 similar compounds to monomer 50385891

Compile data set for download or QSAR
Wt: 483.5
BDBM50385884
Wt: 483.5
BDBM50385886
Wt: 481.5
BDBM50385889
Wt: 467.5
BDBM50385895

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50385884,50385886,50385889,50385895   
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 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50385884
PNG
(CHEMBL2041373)
Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2cccc(O)c2)c1
Show InChI InChI=1S/C28H21NO5S/c30-23-7-2-4-18(16-23)19-10-12-26-20(14-19)11-13-27(32)28(26)21-5-1-6-22(15-21)29-35(33,34)25-9-3-8-24(31)17-25/h1-17,29-32H
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n/an/a 701n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17betaHSD1 in human T47D cells using [3H]E1 as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by ra...


J Med Chem 55: 3307-18 (2012)


Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50385886
PNG
(CHEMBL2041374)
Show SMILES Oc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1
Show InChI InChI=1S/C28H21NO5S/c30-23-9-11-25(12-10-23)35(33,34)29-22-5-1-4-21(16-22)28-26-13-7-19(15-20(26)8-14-27(28)32)18-3-2-6-24(31)17-18/h1-17,29-32H
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n/an/a 1.01E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17betaHSD1 in human T47D cells using [3H]E1 as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by ra...


J Med Chem 55: 3307-18 (2012)


Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50385889
PNG
(CHEMBL2041377)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1
Show InChI InChI=1S/C29H23NO4S/c1-19-8-12-26(13-9-19)35(33,34)30-24-6-2-5-23(17-24)29-27-14-10-21(16-22(27)11-15-28(29)32)20-4-3-7-25(31)18-20/h2-18,30-32H,1H3
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n/an/a 633n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17betaHSD1 in human T47D cells using [3H]E1 as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by ra...


J Med Chem 55: 3307-18 (2012)


Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50385895
PNG
(CHEMBL2041362)
Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C28H21NO4S/c30-24-9-5-6-19(18-24)20-12-14-26-21(16-20)13-15-27(31)28(26)22-7-4-8-23(17-22)29-34(32,33)25-10-2-1-3-11-25/h1-18,29-31H
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n/an/a 196n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17betaHSD1 in human T47D cells using [3H]E1 as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by ra...


J Med Chem 55: 3307-18 (2012)


Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50385889
PNG
(CHEMBL2041377)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1
Show InChI InChI=1S/C29H23NO4S/c1-19-8-12-26(13-9-19)35(33,34)30-24-6-2-5-23(17-24)29-27-14-10-21(16-22(27)11-15-28(29)32)20-4-3-7-25(31)18-20/h2-18,30-32H,1H3
KEGG

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PubMed
n/an/a 367n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placenta microsomal 17betaHSD2 using [3H]E2 as substrate after 20 mins by radioflow detection assay


J Med Chem 55: 3307-18 (2012)


Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50385895
PNG
(CHEMBL2041362)
Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C28H21NO4S/c30-24-9-5-6-19(18-24)20-12-14-26-21(16-20)13-15-27(31)28(26)22-7-4-8-23(17-22)29-34(32,33)25-10-2-1-3-11-25/h1-18,29-31H
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n/an/a 15n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placenta cytosolic 17betaHSD1 using [3H]E1 as substrate after 10 mins by radioflow detection assay


J Med Chem 55: 3307-18 (2012)


Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50385886
PNG
(CHEMBL2041374)
Show SMILES Oc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1
Show InChI InChI=1S/C28H21NO5S/c30-23-9-11-25(12-10-23)35(33,34)29-22-5-1-4-21(16-22)28-26-13-7-19(15-20(26)8-14-27(28)32)18-3-2-6-24(31)17-18/h1-17,29-32H
KEGG

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PubMed
n/an/a 352n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placenta microsomal 17betaHSD2 using [3H]E2 as substrate after 20 mins by radioflow detection assay


J Med Chem 55: 3307-18 (2012)


Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50385895
PNG
(CHEMBL2041362)
Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C28H21NO4S/c30-24-9-5-6-19(18-24)20-12-14-26-21(16-20)13-15-27(31)28(26)22-7-4-8-23(17-22)29-34(32,33)25-10-2-1-3-11-25/h1-18,29-31H
KEGG

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PubMed
n/an/a 403n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placenta microsomal 17betaHSD2 using [3H]E2 as substrate after 20 mins by radioflow detection assay


J Med Chem 55: 3307-18 (2012)


Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50385889
PNG
(CHEMBL2041377)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1
Show InChI InChI=1S/C29H23NO4S/c1-19-8-12-26(13-9-19)35(33,34)30-24-6-2-5-23(17-24)29-27-14-10-21(16-22(27)11-15-28(29)32)20-4-3-7-25(31)18-20/h2-18,30-32H,1H3
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n/an/a 35n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placenta cytosolic 17betaHSD1 using [3H]E1 as substrate after 10 mins by radioflow detection assay


J Med Chem 55: 3307-18 (2012)


Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50385884
PNG
(CHEMBL2041373)
Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2cccc(O)c2)c1
Show InChI InChI=1S/C28H21NO5S/c30-23-7-2-4-18(16-23)19-10-12-26-20(14-19)11-13-27(32)28(26)21-5-1-6-22(15-21)29-35(33,34)25-9-3-8-24(31)17-25/h1-17,29-32H
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n/an/a 14n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placenta cytosolic 17betaHSD1 using [3H]E1 as substrate after 10 mins by radioflow detection assay


J Med Chem 55: 3307-18 (2012)


Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50385886
PNG
(CHEMBL2041374)
Show SMILES Oc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1
Show InChI InChI=1S/C28H21NO5S/c30-23-9-11-25(12-10-23)35(33,34)29-22-5-1-4-21(16-22)28-26-13-7-19(15-20(26)8-14-27(28)32)18-3-2-6-24(31)17-18/h1-17,29-32H
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n/an/a 19n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placenta cytosolic 17betaHSD1 using [3H]E1 as substrate after 10 mins by radioflow detection assay


J Med Chem 55: 3307-18 (2012)


Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50385884
PNG
(CHEMBL2041373)
Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2cccc(O)c2)c1
Show InChI InChI=1S/C28H21NO5S/c30-23-7-2-4-18(16-23)19-10-12-26-20(14-19)11-13-27(32)28(26)21-5-1-6-22(15-21)29-35(33,34)25-9-3-8-24(31)17-25/h1-17,29-32H
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n/an/a 999n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placenta microsomal 17betaHSD2 using [3H]E2 as substrate after 20 mins by radioflow detection assay


J Med Chem 55: 3307-18 (2012)


Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K
More data for this
Ligand-Target Pair