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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 252.3
BDBM25852
Wt: 262.3
BDBM25861
Wt: 262.3
BDBM25862
Wt: 262.3
BDBM25863
Wt: 262.3
BDBM25864
Wt: 263.2
BDBM25865
Wt: 264.2
BDBM25866
Wt: 266.2
BDBM25867
Wt: 267.2
BDBM25841
Wt: 267.2
BDBM25842
Wt: 253.2
BDBM25844
Wt: 236.3
BDBM25845
Purchase
Wt: 176.2
BDBM25846
Purchase
Wt: 252.3
BDBM25847
Wt: 252.3
BDBM25848
Displayed 1 to 15 (of 44 total )  |  Next  |  Last  >>

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

Found 30 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 1 (17-beta-HSD1)


(Homo sapiens (Human))
BDBM25865
PNG
(3-[5-(3-hydroxyphenyl)pyridin-2-yl]phenol | hydrox...)
Show SMILES Oc1cccc(c1)-c1ccc(nc1)-c1cccc(O)c1
Show InChI InChI=1S/C17H13NO2/c19-15-5-1-3-12(9-15)14-7-8-17(18-11-14)13-4-2-6-16(20)10-13/h1-11,19-20H
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n/an/a 101n/an/an/an/an/an/a



Saarland University



Assay Description
Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1)


(Homo sapiens (Human))
BDBM25863
PNG
(3-[4-(3-hydroxyphenyl)phenyl]phenol | hydroxypheny...)
Show SMILES Oc1cccc(c1)-c1ccc(cc1)-c1cccc(O)c1
Show InChI InChI=1S/C18H14O2/c19-17-5-1-3-15(11-17)13-7-9-14(10-8-13)16-4-2-6-18(20)12-16/h1-12,19-20H
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n/an/a 173n/an/an/an/an/an/a



Saarland University



Assay Description
Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM25863
PNG
(3-[4-(3-hydroxyphenyl)phenyl]phenol | hydroxypheny...)
Show SMILES Oc1cccc(c1)-c1ccc(cc1)-c1cccc(O)c1
Show InChI InChI=1S/C18H14O2/c19-17-5-1-3-15(11-17)13-7-9-14(10-8-13)16-4-2-6-18(20)12-16/h1-12,19-20H
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n/an/a 173n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17betaHSD1 by radiodetection assay


J Med Chem 52: 6724-43 (2009)


Article DOI: 10.1021/jm901195w
BindingDB Entry DOI: 10.7270/Q2CR5TDT
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1)


(Homo sapiens (Human))
BDBM25867
PNG
(3-[6-(3-hydroxyphenyl)-1,2,4,5-tetrazin-3-yl]pheno...)
Show SMILES Oc1cccc(c1)-c1nnc(nn1)-c1cccc(O)c1
Show InChI InChI=1S/C14H10N4O2/c19-11-5-1-3-9(7-11)13-15-17-14(18-16-13)10-4-2-6-12(20)8-10/h1-8,19-20H
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n/an/a 201n/an/an/an/an/an/a



Saarland University



Assay Description
Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1)


(Homo sapiens (Human))
BDBM25847
PNG
(3-(5-phenylthiophen-2-yl)phenol | hydroxyphenyl su...)
Show SMILES Oc1cccc(c1)-c1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C16H12OS/c17-14-8-4-7-13(11-14)16-10-9-15(18-16)12-5-2-1-3-6-12/h1-11,17H
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n/an/a 342n/an/an/an/a7.037



Saarland University



Assay Description
Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM25847
PNG
(3-(5-phenylthiophen-2-yl)phenol | hydroxyphenyl su...)
Show SMILES Oc1cccc(c1)-c1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C16H12OS/c17-14-8-4-7-13(11-14)16-10-9-15(18-16)12-5-2-1-3-6-12/h1-11,17H
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n/an/a 342n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17betaHSD1 by radiodetection assay


J Med Chem 52: 6724-43 (2009)


Article DOI: 10.1021/jm901195w
BindingDB Entry DOI: 10.7270/Q2CR5TDT
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM25864
PNG
(3-[4-(4-hydroxyphenyl)phenyl]phenol | hydroxypheny...)
Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1cccc(O)c1
Show InChI InChI=1S/C18H14O2/c19-17-10-8-14(9-11-17)13-4-6-15(7-5-13)16-2-1-3-18(20)12-16/h1-12,19-20H
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n/an/a 471n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17betaHSD1 by radiodetection assay


J Med Chem 52: 6724-43 (2009)


Article DOI: 10.1021/jm901195w
BindingDB Entry DOI: 10.7270/Q2CR5TDT
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1)


(Homo sapiens (Human))
BDBM25864
PNG
(3-[4-(4-hydroxyphenyl)phenyl]phenol | hydroxypheny...)
Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1cccc(O)c1
Show InChI InChI=1S/C18H14O2/c19-17-10-8-14(9-11-17)13-4-6-15(7-5-13)16-2-1-3-18(20)12-16/h1-12,19-20H
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n/an/a 471n/an/an/an/an/an/a



Saarland University



Assay Description
Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1)


(Homo sapiens (Human))
BDBM25862
PNG
(4-[3-(4-hydroxyphenyl)phenyl]phenol | CHEMBL66279 ...)
Show SMILES Oc1ccc(cc1)-c1cccc(c1)-c1ccc(O)cc1
Show InChI InChI=1S/C18H14O2/c19-17-8-4-13(5-9-17)15-2-1-3-16(12-15)14-6-10-18(20)11-7-14/h1-12,19-20H
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n/an/a>1.00E+3n/an/an/an/an/an/a



Saarland University



Assay Description
Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1)


(Homo sapiens (Human))
BDBM25866
PNG
(3-[5-(3-hydroxyphenyl)pyrazin-2-yl]phenol | hydrox...)
Show SMILES Oc1cccc(c1)-c1cnc(cn1)-c1cccc(O)c1
Show InChI InChI=1S/C16H12N2O2/c19-13-5-1-3-11(7-13)15-9-18-16(10-17-15)12-4-2-6-14(20)8-12/h1-10,19-20H
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n/an/a 1.00E+3n/an/an/an/an/an/a



Saarland University



Assay Description
Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1)


(Homo sapiens (Human))
BDBM25861
PNG
(4-[3-(3-hydroxyphenyl)phenyl]phenol | hydroxypheny...)
Show SMILES Oc1ccc(cc1)-c1cccc(c1)-c1cccc(O)c1
Show InChI InChI=1S/C18H14O2/c19-17-9-7-13(8-10-17)14-3-1-4-15(11-14)16-5-2-6-18(20)12-16/h1-12,19-20H
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n/an/a>1.00E+3n/an/an/an/an/an/a



Saarland University



Assay Description
Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM25863
PNG
(3-[4-(3-hydroxyphenyl)phenyl]phenol | hydroxypheny...)
Show SMILES Oc1cccc(c1)-c1ccc(cc1)-c1cccc(O)c1
Show InChI InChI=1S/C18H14O2/c19-17-5-1-3-15(11-17)13-7-9-14(10-8-13)16-4-2-6-18(20)12-16/h1-12,19-20H
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n/an/a 2.26E+3n/an/an/an/an/an/a



Saarland University



Assay Description
Tritiated E2 was incubated with 17beta-HSD2, cofactor, and inhibitor. The amount of labeled E1 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM25863
PNG
(3-[4-(3-hydroxyphenyl)phenyl]phenol | hydroxypheny...)
Show SMILES Oc1cccc(c1)-c1ccc(cc1)-c1cccc(O)c1
Show InChI InChI=1S/C18H14O2/c19-17-5-1-3-15(11-17)13-7-9-14(10-8-13)16-4-2-6-18(20)12-16/h1-12,19-20H
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n/an/a 2.26E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17betaHSD2 by radiodetection assay


J Med Chem 52: 6724-43 (2009)


Article DOI: 10.1021/jm901195w
BindingDB Entry DOI: 10.7270/Q2CR5TDT
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM25847
PNG
(3-(5-phenylthiophen-2-yl)phenol | hydroxyphenyl su...)
Show SMILES Oc1cccc(c1)-c1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C16H12OS/c17-14-8-4-7-13(11-14)16-10-9-15(18-16)12-5-2-1-3-6-12/h1-11,17H
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PubMed
n/an/a 2.34E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17betaHSD2 by radiodetection assay


J Med Chem 52: 6724-43 (2009)


Article DOI: 10.1021/jm901195w
BindingDB Entry DOI: 10.7270/Q2CR5TDT
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM25847
PNG
(3-(5-phenylthiophen-2-yl)phenol | hydroxyphenyl su...)
Show SMILES Oc1cccc(c1)-c1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C16H12OS/c17-14-8-4-7-13(11-14)16-10-9-15(18-16)12-5-2-1-3-6-12/h1-11,17H
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n/an/a 2.34E+3n/an/an/an/an/an/a



Saarland University



Assay Description
Tritiated E2 was incubated with 17beta-HSD2, cofactor, and inhibitor. The amount of labeled E1 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM25865
PNG
(3-[5-(3-hydroxyphenyl)pyridin-2-yl]phenol | hydrox...)
Show SMILES Oc1cccc(c1)-c1ccc(nc1)-c1cccc(O)c1
Show InChI InChI=1S/C17H13NO2/c19-15-5-1-3-12(9-15)14-7-8-17(18-11-14)13-4-2-6-16(20)10-13/h1-11,19-20H
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n/an/a 3.40E+3n/an/an/an/an/an/a



Saarland University



Assay Description
Tritiated E2 was incubated with 17beta-HSD2, cofactor, and inhibitor. The amount of labeled E1 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM25864
PNG
(3-[4-(4-hydroxyphenyl)phenyl]phenol | hydroxypheny...)
Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1cccc(O)c1
Show InChI InChI=1S/C18H14O2/c19-17-10-8-14(9-11-17)13-4-6-15(7-5-13)16-2-1-3-18(20)12-16/h1-12,19-20H
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PubMed
n/an/a 4.51E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17betaHSD2 by radiodetection assay


J Med Chem 52: 6724-43 (2009)


Article DOI: 10.1021/jm901195w
BindingDB Entry DOI: 10.7270/Q2CR5TDT
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM25864
PNG
(3-[4-(4-hydroxyphenyl)phenyl]phenol | hydroxypheny...)
Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1cccc(O)c1
Show InChI InChI=1S/C18H14O2/c19-17-10-8-14(9-11-17)13-4-6-15(7-5-13)16-2-1-3-18(20)12-16/h1-12,19-20H
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n/an/a 4.51E+3n/an/an/an/an/an/a



Saarland University



Assay Description
Tritiated E2 was incubated with 17beta-HSD2, cofactor, and inhibitor. The amount of labeled E1 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1)


(Homo sapiens (Human))
BDBM25852
PNG
(3-(4-phenylthiophen-2-yl)phenol | hydroxyphenyl su...)
Show SMILES Oc1cccc(c1)-c1cc(cs1)-c1ccccc1
Show InChI InChI=1S/C16H12OS/c17-15-8-4-7-13(9-15)16-10-14(11-18-16)12-5-2-1-3-6-12/h1-11,17H
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n/an/a>5.00E+3n/an/an/an/a7.037



Saarland University



Assay Description
Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1)


(Homo sapiens (Human))
BDBM25844
PNG
(3-[1-(3-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]pheno...)
Show SMILES Oc1cccc(c1)-c1cn(nn1)-c1cccc(O)c1
Show InChI InChI=1S/C14H11N3O2/c18-12-5-1-3-10(7-12)14-9-17(16-15-14)11-4-2-6-13(19)8-11/h1-9,18-19H
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n/an/a>5.00E+3n/an/an/an/a7.037



Saarland University



Assay Description
Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM25867
PNG
(3-[6-(3-hydroxyphenyl)-1,2,4,5-tetrazin-3-yl]pheno...)
Show SMILES Oc1cccc(c1)-c1nnc(nn1)-c1cccc(O)c1
Show InChI InChI=1S/C14H10N4O2/c19-11-5-1-3-9(7-11)13-15-17-14(18-16-13)10-4-2-6-12(20)8-10/h1-8,19-20H
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n/an/a 5.10E+3n/an/an/an/an/an/a



Saarland University



Assay Description
Tritiated E2 was incubated with 17beta-HSD2, cofactor, and inhibitor. The amount of labeled E1 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM25866
PNG
(3-[5-(3-hydroxyphenyl)pyrazin-2-yl]phenol | hydrox...)
Show SMILES Oc1cccc(c1)-c1cnc(cn1)-c1cccc(O)c1
Show InChI InChI=1S/C16H12N2O2/c19-13-5-1-3-11(7-13)15-9-18-16(10-17-15)12-4-2-6-14(20)8-12/h1-10,19-20H
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n/an/a 5.50E+3n/an/an/an/an/an/a



Saarland University



Assay Description
Tritiated E2 was incubated with 17beta-HSD2, cofactor, and inhibitor. The amount of labeled E1 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1)


(Homo sapiens (Human))
BDBM25848
PNG
(4-(5-phenylthiophen-2-yl)phenol | hydroxyphenyl su...)
Show SMILES Oc1ccc(cc1)-c1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C16H12OS/c17-14-8-6-13(7-9-14)16-11-10-15(18-16)12-4-2-1-3-5-12/h1-11,17H
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n/an/an/an/an/an/an/a7.037



Saarland University



Assay Description
Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM25862
PNG
(4-[3-(4-hydroxyphenyl)phenyl]phenol | CHEMBL66279 ...)
Show SMILES Oc1ccc(cc1)-c1cccc(c1)-c1ccc(O)cc1
Show InChI InChI=1S/C18H14O2/c19-17-8-4-13(5-9-17)15-2-1-3-16(12-15)14-6-10-18(20)11-7-14/h1-12,19-20H
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n/an/an/an/a 800n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Transcriptional agonist activity in Chinese hamster ovary cells expressing human Estrogen Receptor alpha


J Med Chem 46: 3441-4 (2003)


Article DOI: 10.1021/jm034078c
BindingDB Entry DOI: 10.7270/Q2S46RB0
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1)


(Homo sapiens (Human))
BDBM25842
PNG
(4-[5-(3-hydroxyphenyl)-1-methyl-1H-1,2,4-triazol-3...)
Show SMILES Cn1nc(nc1-c1cccc(O)c1)-c1ccc(O)cc1
Show InChI InChI=1S/C15H13N3O2/c1-18-15(11-3-2-4-13(20)9-11)16-14(17-18)10-5-7-12(19)8-6-10/h2-9,19-20H,1H3
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n/an/an/an/an/an/an/a7.037



Saarland University



Assay Description
Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1)


(Homo sapiens (Human))
BDBM25845
PNG
(2,5-diphenylthiophene | thiophene, 17)
Show SMILES c1cc(sc1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C16H12S/c1-3-7-13(8-4-1)15-11-12-16(17-15)14-9-5-2-6-10-14/h1-12H
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n/an/an/an/an/an/an/a7.037



Saarland University



Assay Description
Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM25867
PNG
(3-[6-(3-hydroxyphenyl)-1,2,4,5-tetrazin-3-yl]pheno...)
Show SMILES Oc1cccc(c1)-c1nnc(nn1)-c1cccc(O)c1
Show InChI InChI=1S/C14H10N4O2/c19-11-5-1-3-9(7-11)13-15-17-14(18-16-13)10-4-2-6-12(20)8-10/h1-8,19-20H
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n/an/an/an/a 6.76E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM25867
PNG
(3-[6-(3-hydroxyphenyl)-1,2,4,5-tetrazin-3-yl]pheno...)
Show SMILES Oc1cccc(c1)-c1nnc(nn1)-c1cccc(O)c1
Show InChI InChI=1S/C14H10N4O2/c19-11-5-1-3-9(7-11)13-15-17-14(18-16-13)10-4-2-6-12(20)8-10/h1-8,19-20H
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n/an/an/an/a 6.76E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1)


(Homo sapiens (Human))
BDBM25841
PNG
(4-[5-(4-hydroxyphenyl)-1-methyl-1H-1,2,4-triazol-3...)
Show SMILES Cn1nc(nc1-c1ccc(O)cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C15H13N3O2/c1-18-15(11-4-8-13(20)9-5-11)16-14(17-18)10-2-6-12(19)7-3-10/h2-9,19-20H,1H3
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n/an/an/an/an/an/an/a7.037



Saarland University



Assay Description
Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1)


(Homo sapiens (Human))
BDBM25846
PNG
(3-(thiophen-2-yl)phenol | hydroxyphenyl substitute...)
Show SMILES Oc1cccc(c1)-c1cccs1
Show InChI InChI=1S/C10H8OS/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1-7,11H
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n/an/an/an/an/an/an/a7.037



Saarland University



Assay Description
Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair