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Compile Data Set for Download or QSAR

Found 143 hits with Last Name = 'tamura' and Initial = 'h'   
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
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50049730
PNG
(2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxot...)
Show SMILES C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1
Show InChI InChI=1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8-
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n/an/a 72n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of rat lens aldose reductase using DL-glyceraldehyde as substrate after 30 mins by fluorescence microplate reader analysis


Bioorg Med Chem 20: 832-40 (2012)


Article DOI: 10.1016/j.bmc.2011.11.067
BindingDB Entry DOI: 10.7270/Q20K291D
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50434570
PNG
(CHEMBL2386405)
Show SMILES Fc1ccc(cc1)-c1cc(=O)c2c(F)cccc2o1
Show InChI InChI=1S/C15H8F2O2/c16-10-6-4-9(5-7-10)14-8-12(18)15-11(17)2-1-3-13(15)19-14/h1-8H
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n/an/a 190n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50434570
PNG
(CHEMBL2386405)
Show SMILES Fc1ccc(cc1)-c1cc(=O)c2c(F)cccc2o1
Show InChI InChI=1S/C15H8F2O2/c16-10-6-4-9(5-7-10)14-8-12(18)15-11(17)2-1-3-13(15)19-14/h1-8H
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n/an/a 191n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50434569
PNG
(CHEMBL2386396)
Show SMILES Oc1cc(oc2cccc(=O)c12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H9NO3/c17-9-10-4-6-11(7-5-10)15-8-13(19)16-12(18)2-1-3-14(16)20-15/h1-8,19H
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n/an/a 250n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50434569
PNG
(CHEMBL2386396)
Show SMILES Oc1cc(oc2cccc(=O)c12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H9NO3/c17-9-10-4-6-11(7-5-10)15-8-13(19)16-12(18)2-1-3-14(16)20-15/h1-8,19H
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n/an/a 251n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50049385
PNG
(5-Hydroxy-2-phenyl-chromen-4-one | 5-Hydroxyflavon...)
Show SMILES Oc1cccc2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C15H10O3/c16-11-7-4-8-13-15(11)12(17)9-14(18-13)10-5-2-1-3-6-10/h1-9,16H
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n/an/a 300n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor in human MDA-kb2 cells assessed as inhibition of DHT-induced luciferase activity by luciferase reporter gene...


Bioorg Med Chem Lett 19: 4706-10 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.073
BindingDB Entry DOI: 10.7270/Q26T0MNQ
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50434568
PNG
(CHEMBL2386393)
Show SMILES Oc1cccc2oc(cc(=O)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C15H9FO3/c16-10-6-4-9(5-7-10)14-8-12(18)15-11(17)2-1-3-13(15)19-14/h1-8,17H
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n/an/a 330n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50434568
PNG
(CHEMBL2386393)
Show SMILES Oc1cccc2oc(cc(=O)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C15H9FO3/c16-10-6-4-9(5-7-10)14-8-12(18)15-11(17)2-1-3-13(15)19-14/h1-8,17H
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n/an/a 331n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50434567
PNG
(CHEMBL2386395)
Show SMILES Oc1cc(oc2cccc(=O)c12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C15H9NO5/c17-11-2-1-3-13-15(11)12(18)8-14(21-13)9-4-6-10(7-5-9)16(19)20/h1-8,18H
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n/an/a 360n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50434566
PNG
(CHEMBL2386404)
Show SMILES Fc1cccc2oc(cc(=O)c12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H8ClFO2/c16-10-6-4-9(5-7-10)14-8-12(18)15-11(17)2-1-3-13(15)19-14/h1-8H
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n/an/a 360n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50434567
PNG
(CHEMBL2386395)
Show SMILES Oc1cc(oc2cccc(=O)c12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C15H9NO5/c17-11-2-1-3-13-15(11)12(18)8-14(21-13)9-4-6-10(7-5-9)16(19)20/h1-8,18H
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n/an/a 363n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50434566
PNG
(CHEMBL2386404)
Show SMILES Fc1cccc2oc(cc(=O)c12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H8ClFO2/c16-10-6-4-9(5-7-10)14-8-12(18)15-11(17)2-1-3-13(15)19-14/h1-8H
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n/an/a 363n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50434572
PNG
(CHEMBL274471)
Show SMILES Oc1cc(oc2cccc(=O)c12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9ClO3/c16-10-6-4-9(5-7-10)14-8-12(18)15-11(17)2-1-3-13(15)19-14/h1-8,18H
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n/an/a 457n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50434572
PNG
(CHEMBL274471)
Show SMILES Oc1cc(oc2cccc(=O)c12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9ClO3/c16-10-6-4-9(5-7-10)14-8-12(18)15-11(17)2-1-3-13(15)19-14/h1-8,18H
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n/an/a 460n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50434573
PNG
(CHEMBL2386394)
Show SMILES Fc1cccc2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C15H9FO2/c16-11-7-4-8-13-15(11)12(17)9-14(18-13)10-5-2-1-3-6-10/h1-9H
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n/an/a 770n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50434573
PNG
(CHEMBL2386394)
Show SMILES Fc1cccc2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C15H9FO2/c16-11-7-4-8-13-15(11)12(17)9-14(18-13)10-5-2-1-3-6-10/h1-9H
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n/an/a 776n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50049385
PNG
(5-Hydroxy-2-phenyl-chromen-4-one | 5-Hydroxyflavon...)
Show SMILES Oc1cccc2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C15H10O3/c16-11-7-4-8-13-15(11)12(17)9-14(18-13)10-5-2-1-3-6-10/h1-9,16H
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n/an/a 832n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50049385
PNG
(5-Hydroxy-2-phenyl-chromen-4-one | 5-Hydroxyflavon...)
Show SMILES Oc1cccc2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C15H10O3/c16-11-7-4-8-13-15(11)12(17)9-14(18-13)10-5-2-1-3-6-10/h1-9,16H
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n/an/a 840n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50434574
PNG
(CHEMBL2386397)
Show SMILES CN(C)c1ccc(cc1)-c1cc(O)c2c(cccc2=O)o1
Show InChI InChI=1S/C17H15NO3/c1-18(2)12-8-6-11(7-9-12)16-10-14(20)17-13(19)4-3-5-15(17)21-16/h3-10,20H,1-2H3
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n/an/a 850n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50434574
PNG
(CHEMBL2386397)
Show SMILES CN(C)c1ccc(cc1)-c1cc(O)c2c(cccc2=O)o1
Show InChI InChI=1S/C17H15NO3/c1-18(2)12-8-6-11(7-9-12)16-10-14(20)17-13(19)4-3-5-15(17)21-16/h3-10,20H,1-2H3
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n/an/a 851n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50312650
PNG
(5,4'-dihydroxyflavone | 5-hydroxy-2-(4-hydroxyphen...)
Show SMILES Oc1ccc(cc1)-c1cc(O)c2c(cccc2=O)o1
Show InChI InChI=1S/C15H10O4/c16-10-6-4-9(5-7-10)14-8-12(18)15-11(17)2-1-3-13(15)19-14/h1-8,16,18H
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n/an/a 851n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50312650
PNG
(5,4'-dihydroxyflavone | 5-hydroxy-2-(4-hydroxyphen...)
Show SMILES Oc1ccc(cc1)-c1cc(O)c2c(cccc2=O)o1
Show InChI InChI=1S/C15H10O4/c16-10-6-4-9(5-7-10)14-8-12(18)15-11(17)2-1-3-13(15)19-14/h1-8,16,18H
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n/an/a 860n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50131270
PNG
(2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]prop...)
Show SMILES CC(C)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C11H11F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at AR in human MDA-kb2 cells cotransfected with MMTV-luc assessed as decrease in DHT-induced luciferase activity by reporter gene...


Bioorg Med Chem Lett 20: 2111-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.059
BindingDB Entry DOI: 10.7270/Q25D8S0V
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50434575
PNG
(CHEMBL2386401)
Show SMILES CSc1ccc(cc1)-c1cc(O)c2c(cccc2=O)o1
Show InChI InChI=1S/C16H12O3S/c1-20-11-7-5-10(6-8-11)15-9-13(18)16-12(17)3-2-4-14(16)19-15/h2-9,18H,1H3
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n/an/a 1.07E+3n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50434575
PNG
(CHEMBL2386401)
Show SMILES CSc1ccc(cc1)-c1cc(O)c2c(cccc2=O)o1
Show InChI InChI=1S/C16H12O3S/c1-20-11-7-5-10(6-8-11)15-9-13(18)16-12(17)3-2-4-14(16)19-15/h2-9,18H,1H3
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n/an/a 1.07E+3n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50434576
PNG
(CHEMBL2386406)
Show SMILES Fc1cccc2oc(cc(=O)c12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H8FNO2/c17-12-2-1-3-14-16(12)13(19)8-15(20-14)11-6-4-10(9-18)5-7-11/h1-8H
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n/an/a 1.20E+3n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50434576
PNG
(CHEMBL2386406)
Show SMILES Fc1cccc2oc(cc(=O)c12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H8FNO2/c17-12-2-1-3-14-16(12)13(19)8-15(20-14)11-6-4-10(9-18)5-7-11/h1-8H
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n/an/a 1.20E+3n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50434577
PNG
(CHEMBL2386392)
Show SMILES Oc1cc(oc2cccc(=O)c12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H9F3O3/c17-16(18,19)10-6-4-9(5-7-10)14-8-12(21)15-11(20)2-1-3-13(15)22-14/h1-8,21H
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n/an/a 1.23E+3n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50434577
PNG
(CHEMBL2386392)
Show SMILES Oc1cc(oc2cccc(=O)c12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H9F3O3/c17-16(18,19)10-6-4-9(5-7-10)14-8-12(21)15-11(20)2-1-3-13(15)22-14/h1-8,21H
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n/an/a 1.24E+3n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50434578
PNG
(CHEMBL143978)
Show SMILES COc1cccc2oc(cc(=O)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C16H11FO3/c1-19-13-3-2-4-14-16(13)12(18)9-15(20-14)10-5-7-11(17)8-6-10/h2-9H,1H3
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n/an/a 1.61E+3n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50434578
PNG
(CHEMBL143978)
Show SMILES COc1cccc2oc(cc(=O)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C16H11FO3/c1-19-13-3-2-4-14-16(13)12(18)9-15(20-14)10-5-7-11(17)8-6-10/h2-9H,1H3
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n/an/a 1.62E+3n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50333465
PNG
((2R,3R,4R,5R,6R)-5-((2R,3R,4R,5S,6R)-5-((2R,3R,4S,...)
Show SMILES C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:37|
Show InChI InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase activity of sucrase in rat small intestinal brush border membrane fraction using maltose as substrate after 30 mins


Bioorg Med Chem 20: 832-40 (2012)


Article DOI: 10.1016/j.bmc.2011.11.067
BindingDB Entry DOI: 10.7270/Q20K291D
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50434579
PNG
(CHEMBL2386399)
Show SMILES Nc1ccc(cc1)-c1cc(O)c2c(cccc2=O)o1
Show InChI InChI=1S/C15H11NO3/c16-10-6-4-9(5-7-10)14-8-12(18)15-11(17)2-1-3-13(15)19-14/h1-8,18H,16H2
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n/an/a 1.99E+3n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50434579
PNG
(CHEMBL2386399)
Show SMILES Nc1ccc(cc1)-c1cc(O)c2c(cccc2=O)o1
Show InChI InChI=1S/C15H11NO3/c16-10-6-4-9(5-7-10)14-8-12(18)15-11(17)2-1-3-13(15)19-14/h1-8,18H,16H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Rattus norvegicus)
BDBM50333465
PNG
((2R,3R,4R,5R,6R)-5-((2R,3R,4R,5S,6R)-5-((2R,3R,4S,...)
Show SMILES C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:37|
Show InChI InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase activity of maltase in rat small intestinal brush border membrane fraction using maltose as substrate after 30 mins


Bioorg Med Chem 20: 832-40 (2012)


Article DOI: 10.1016/j.bmc.2011.11.067
BindingDB Entry DOI: 10.7270/Q20K291D
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50296861
PNG
(6-Hydroxyflavanone | 6-hydroxy-2-phenyl-2,3-dihydr...)
Show SMILES Oc1ccc2OC(CC(=O)c2c1)c1ccccc1
Show InChI InChI=1S/C15H12O3/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-8,15-16H,9H2
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n/an/a 3.30E+3n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor in human MDA-kb2 cells assessed as inhibition of DHT-induced luciferase activity by luciferase reporter gene...


Bioorg Med Chem Lett 19: 4706-10 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.073
BindingDB Entry DOI: 10.7270/Q26T0MNQ
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50434580
PNG
(CHEMBL2386408)
Show SMILES NC(=O)c1ccc(cc1)-c1cc(O)c2c(cccc2=O)o1
Show InChI InChI=1S/C16H11NO4/c17-16(20)10-6-4-9(5-7-10)14-8-12(19)15-11(18)2-1-3-13(15)21-14/h1-8,19H,(H2,17,20)
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n/an/a 3.55E+3n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50434580
PNG
(CHEMBL2386408)
Show SMILES NC(=O)c1ccc(cc1)-c1cc(O)c2c(cccc2=O)o1
Show InChI InChI=1S/C16H11NO4/c17-16(20)10-6-4-9(5-7-10)14-8-12(19)15-11(18)2-1-3-13(15)21-14/h1-8,19H,(H2,17,20)
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n/an/a 3.58E+3n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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n/an/a 5.20E+3n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor in human MDA-kb2 cells assessed as inhibition of DHT-induced luciferase activity by luciferase reporter gene...


Bioorg Med Chem Lett 19: 4706-10 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.073
BindingDB Entry DOI: 10.7270/Q26T0MNQ
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50028962
PNG
(CHEMBL275638 | flavone)
Show SMILES O=c1cc(oc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H
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n/an/a 5.90E+3n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor in human MDA-kb2 cells assessed as inhibition of DHT-induced luciferase activity by luciferase reporter gene...


Bioorg Med Chem Lett 19: 4706-10 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.073
BindingDB Entry DOI: 10.7270/Q26T0MNQ
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50250383
PNG
(CHEMBL1939429 | CHEMBL490506 | shoreaphenol)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc3c(O)c(-c4ccc(O)cc4)c4c(O)cc(O)cc4c1c23
Show InChI InChI=1S/C28H18O7/c29-15-5-1-13(2-6-15)23-24-19(9-17(31)11-21(24)33)26-25-20(27(23)34)10-18(32)12-22(25)35-28(26)14-3-7-16(30)8-4-14/h1-12,29-34H
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n/an/a 6.90E+3n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of rat lens aldose reductase using DL-glyceraldehyde as substrate after 30 mins by fluorescence microplate reader analysis


Bioorg Med Chem 20: 832-40 (2012)


Article DOI: 10.1016/j.bmc.2011.11.067
BindingDB Entry DOI: 10.7270/Q20K291D
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50362650
PNG
(CHEMBL443463)
Show SMILES Oc1ccc(cc1)[C@H]1Oc2cc(O)cc3[C@H]4[C@@H](Oc5cc(O)cc([C@H]6[C@@H](Oc7cc(O)cc([C@H]1c23)c67)c1ccc(O)cc1)c45)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C42H30O9/c43-22-7-1-19(2-8-22)40-37-28-13-25(46)17-32-35(28)39(42(50-32)21-5-11-24(45)12-6-21)30-15-27(48)18-33-36(30)38(29-14-26(47)16-31(49-40)34(29)37)41(51-33)20-3-9-23(44)10-4-20/h1-18,37-48H/t37-,38-,39+,40+,41+,42-/m1/s1
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n/an/a 7.80E+3n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of rat lens aldose reductase using DL-glyceraldehyde as substrate after 30 mins by fluorescence microplate reader analysis


Bioorg Med Chem 20: 832-40 (2012)


Article DOI: 10.1016/j.bmc.2011.11.067
BindingDB Entry DOI: 10.7270/Q20K291D
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50296862
PNG
(5-Methoxy-2-phenyl-chromen-4-one | 5-Methoxyflavon...)
Show SMILES COc1cccc2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C16H12O3/c1-18-13-8-5-9-14-16(13)12(17)10-15(19-14)11-6-3-2-4-7-11/h2-10H,1H3
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n/an/a 8.70E+3n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor in human MDA-kb2 cells assessed as inhibition of DHT-induced luciferase activity by luciferase reporter gene...


Bioorg Med Chem Lett 19: 4706-10 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.073
BindingDB Entry DOI: 10.7270/Q26T0MNQ
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM7462
PNG
(3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
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n/an/a 9.70E+3n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor in human MDA-kb2 cells assessed as inhibition of DHT-induced luciferase activity by luciferase reporter gene...


Bioorg Med Chem Lett 19: 4706-10 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.073
BindingDB Entry DOI: 10.7270/Q26T0MNQ
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50362656
PNG
(MALIBATOL B)
Show SMILES O[C@@H]1[C@@H](c2ccc(O)cc2)c2c(O)cc(O)c(O)c2-c2c(oc3cc(O)cc1c23)-c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C28H20O9/c29-13-4-1-11(2-5-13)21-23-18(33)10-19(34)27(36)24(23)25-22-15(26(21)35)8-14(30)9-20(22)37-28(25)12-3-6-16(31)17(32)7-12/h1-10,21,26,29-36H/t21-,26-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of rat lens aldose reductase using DL-glyceraldehyde as substrate after 30 mins by fluorescence microplate reader analysis


Bioorg Med Chem 20: 832-40 (2012)


Article DOI: 10.1016/j.bmc.2011.11.067
BindingDB Entry DOI: 10.7270/Q20K291D
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50434571
PNG
(CHEMBL16972)
Show SMILES Cc1ccc(cc1)-c1cc(O)c2c(cccc2=O)o1
Show InChI InChI=1S/C16H12O3/c1-10-5-7-11(8-6-10)15-9-13(18)16-12(17)3-2-4-14(16)19-15/h2-9,18H,1H3
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n/an/a 1.11E+4n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50434571
PNG
(CHEMBL16972)
Show SMILES Cc1ccc(cc1)-c1cc(O)c2c(cccc2=O)o1
Show InChI InChI=1S/C16H12O3/c1-10-5-7-11(8-6-10)15-9-13(18)16-12(17)3-2-4-14(16)19-15/h2-9,18H,1H3
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n/an/a 1.12E+4n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50164168
PNG
(1,3,4-Eugenol | 1-Hydroxy-2-methoxy-4-allylbenzene...)
Show SMILES COc1cc(CC=C)ccc1O
Show InChI InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
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n/an/a 1.90E+4n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at AR in human MDA-kb2 cells cotransfected with MMTV-luc assessed as decrease in DHT-induced luciferase activity by reporter gene...


Bioorg Med Chem Lett 20: 2111-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.059
BindingDB Entry DOI: 10.7270/Q25D8S0V
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50051358
PNG
(2,3-Dihydroflavone | 2,3-dihydro-2-phenyl-4H-1-ben...)
Show SMILES O=C1CC(Oc2ccccc12)c1ccccc1
Show InChI InChI=1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2
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n/an/a 2.00E+4n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor in human MDA-kb2 cells assessed as inhibition of DHT-induced luciferase activity by luciferase reporter gene...


Bioorg Med Chem Lett 19: 4706-10 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.073
BindingDB Entry DOI: 10.7270/Q26T0MNQ
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50362646
PNG
(CHEMBL1224887)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2cc(O)c3[C@@H]4[C@@H]([C@@H]([C@H](c5ccc(O)cc5)c5c(O)cc6O[C@H]([C@@H](c6c45)c4cc(O)cc(O)c4)c4ccc(O)cc4)c3c2[C@H]1c1cc(O)cc(O)c1)c1ccc(O)cc1 |r,THB:11:13:34.25.17:15,51:50:34.25.17:15|
Show InChI InChI=1S/C56H42O12/c57-31-9-1-25(2-10-31)43-47-39(65)23-41-49(45(29-17-35(61)21-36(62)18-29)55(67-41)27-5-13-33(59)14-6-27)53(47)52-44(26-3-11-32(58)12-4-26)51(43)54-48(52)40(66)24-42-50(54)46(30-19-37(63)22-38(64)20-30)56(68-42)28-7-15-34(60)16-8-28/h1-24,43-46,51-52,55-66H/t43-,44-,45-,46-,51-,52+,55+,56+/m1/s1
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n/an/a 2.12E+4n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of rat lens aldose reductase using DL-glyceraldehyde as substrate after 30 mins by fluorescence microplate reader analysis


Bioorg Med Chem 20: 832-40 (2012)


Article DOI: 10.1016/j.bmc.2011.11.067
BindingDB Entry DOI: 10.7270/Q20K291D
More data for this
Ligand-Target Pair
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