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16 similar compounds to monomer 50385772

Wt: 305.3
BDBM35912
Wt: 397.4
BDBM35904
Wt: 243.2
BDBM50385712
Purchase
Wt: 273.2
BDBM50385760
Wt: 257.2
BDBM50385763
Wt: 287.2
BDBM50385764
Wt: 285.2
BDBM50385766
Wt: 273.2
BDBM50385720
Wt: 243.2
BDBM50385723
Wt: 277.7
BDBM50385767
Wt: 273.2
BDBM50385769
Wt: 273.2
BDBM50385726
Wt: 257.2
BDBM50385770
Wt: 299.3
BDBM50385771
Wt: 303.3
BDBM50385773
Displayed 1 to 15 (of 16 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 28 hits for monomerid = 35912,35904,50385712,50385760,50385763,50385764,50385766,50385720,50385723,50385767,50385769,50385726,50385770,50385771,50385773   
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
Androgen Receptor


(Homo sapiens (human))
BDBM35904
PNG
(flufenamic acid analogue, 31)
Show SMILES OC(=O)c1ccccc1Nc1cc(Oc2ccccc2)cc(Oc2ccccc2)c1
Show InChI InChI=1S/C25H19NO4/c27-25(28)23-13-7-8-14-24(23)26-18-15-21(29-19-9-3-1-4-10-19)17-22(16-18)30-20-11-5-2-6-12-20/h1-17,26H,(H,27,28)
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MMDB

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PubMed
n/an/a 5.76E+4n/a 1.90E+4n/an/a7.223



St. Jude Research Hospital



Assay Description
A radiolabeled ligand competition scintillation proximity assay (SPA) for the androgen receptor (AR) using Ni-coated 384-well FlashPlates. It measure...


ACS Chem Biol 4: 834-43 (2009)

More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50385773
PNG
(CHEMBL2040885)
Show SMILES COc1ccc(C(O)=O)c(Nc2cc(OC)cc(OC)c2)c1
Show InChI InChI=1S/C16H17NO5/c1-20-11-4-5-14(16(18)19)15(9-11)17-10-6-12(21-2)8-13(7-10)22-3/h4-9,17H,1-3H3,(H,18,19)
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n/an/a 2.22E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)

More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM50385712
PNG
(CHEMBL1328677)
Show SMILES COc1cccc(Nc2ccccc2C(O)=O)c1
Show InChI InChI=1S/C14H13NO3/c1-18-11-6-4-5-10(9-11)15-13-8-3-2-7-12(13)14(16)17/h2-9,15H,1H3,(H,16,17)
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n/an/a 1.11E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)

More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM50385720
PNG
(CHEMBL2043308)
Show SMILES COc1cc(Nc2ccccc2C(O)=O)cc(OC)c1
Show InChI InChI=1S/C15H15NO4/c1-19-11-7-10(8-12(9-11)20-2)16-14-6-4-3-5-13(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
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n/an/a 3.40E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)

More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM50385723
PNG
(CHEMBL2043311)
Show SMILES COc1ccc(C(O)=O)c(Nc2ccccc2)c1
Show InChI InChI=1S/C14H13NO3/c1-18-11-7-8-12(14(16)17)13(9-11)15-10-5-3-2-4-6-10/h2-9,15H,1H3,(H,16,17)
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n/an/a 1.49E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)

More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50385726
PNG
(CHEMBL2043315)
Show SMILES COc1cccc(Nc2cc(OC)ccc2C(O)=O)c1
Show InChI InChI=1S/C15H15NO4/c1-19-11-5-3-4-10(8-11)16-14-9-12(20-2)6-7-13(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
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n/an/a 570n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)

More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM50385760
PNG
(CHEMBL2043312)
Show SMILES COc1ccc(C(O)=O)c(Nc2ccccc2OC)c1
Show InChI InChI=1S/C15H15NO4/c1-19-10-7-8-11(15(17)18)13(9-10)16-12-5-3-4-6-14(12)20-2/h3-9,16H,1-2H3,(H,17,18)
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)

More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM50385726
PNG
(CHEMBL2043315)
Show SMILES COc1cccc(Nc2cc(OC)ccc2C(O)=O)c1
Show InChI InChI=1S/C15H15NO4/c1-19-11-5-3-4-10(8-11)16-14-9-12(20-2)6-7-13(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
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n/an/a 1.47E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)

More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM50385763
PNG
(CHEMBL2043316)
Show SMILES COc1ccc(C(O)=O)c(Nc2cccc(C)c2)c1
Show InChI InChI=1S/C15H15NO3/c1-10-4-3-5-11(8-10)16-14-9-12(19-2)6-7-13(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
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n/an/a 870n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)

More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM50385764
PNG
(CHEMBL2043317)
Show SMILES COc1ccc(C(O)=O)c(Nc2cccc(c2)C(O)=O)c1
Show InChI InChI=1S/C15H13NO5/c1-21-11-5-6-12(15(19)20)13(8-11)16-10-4-2-3-9(7-10)14(17)18/h2-8,16H,1H3,(H,17,18)(H,19,20)
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n/an/a 8.38E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)

More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM50385766
PNG
(CHEMBL2043319)
Show SMILES COc1ccc(C(O)=O)c(Nc2ccc(cc2)C(C)=O)c1
Show InChI InChI=1S/C16H15NO4/c1-10(18)11-3-5-12(6-4-11)17-15-9-13(21-2)7-8-14(15)16(19)20/h3-9,17H,1-2H3,(H,19,20)
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n/an/a 270n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)

More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM50385767
PNG
(CHEMBL2043320)
Show SMILES COc1ccc(C(O)=O)c(Nc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C14H12ClNO3/c1-19-11-6-7-12(14(17)18)13(8-11)16-10-4-2-9(15)3-5-10/h2-8,16H,1H3,(H,17,18)
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n/an/a 290n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)

More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM50385769
PNG
(CHEMBL2043322)
Show SMILES COc1ccc(Nc2cc(OC)ccc2C(O)=O)cc1
Show InChI InChI=1S/C15H15NO4/c1-19-11-5-3-10(4-6-11)16-14-9-12(20-2)7-8-13(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
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n/an/a 910n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)

More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM50385770
PNG
(CHEMBL2043323)
Show SMILES COc1ccc(C(O)=O)c(Nc2ccc(C)cc2)c1
Show InChI InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)16-14-9-12(19-2)7-8-13(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
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n/an/a 1.11E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)

More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM50385771
PNG
(CHEMBL2040884)
Show SMILES COc1ccc(C(O)=O)c(Nc2ccc(cc2)C(C)(C)C)c1
Show InChI InChI=1S/C18H21NO3/c1-18(2,3)12-5-7-13(8-6-12)19-16-11-14(22-4)9-10-15(16)17(20)21/h5-11,19H,1-4H3,(H,20,21)
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n/an/a 700n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)

More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM50385773
PNG
(CHEMBL2040885)
Show SMILES COc1ccc(C(O)=O)c(Nc2cc(OC)cc(OC)c2)c1
Show InChI InChI=1S/C16H17NO5/c1-20-11-4-5-14(16(18)19)15(9-11)17-10-6-12(21-2)8-13(7-10)22-3/h4-9,17H,1-3H3,(H,18,19)
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n/an/a 6.78E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)

More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50385712
PNG
(CHEMBL1328677)
Show SMILES COc1cccc(Nc2ccccc2C(O)=O)c1
Show InChI InChI=1S/C14H13NO3/c1-18-11-6-4-5-10(9-11)15-13-8-3-2-7-12(13)14(16)17/h2-9,15H,1H3,(H,16,17)
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n/an/a 570n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)

More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50385720
PNG
(CHEMBL2043308)
Show SMILES COc1cc(Nc2ccccc2C(O)=O)cc(OC)c1
Show InChI InChI=1S/C15H15NO4/c1-19-11-7-10(8-12(9-11)20-2)16-14-6-4-3-5-13(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
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n/an/a 890n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)

More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50385723
PNG
(CHEMBL2043311)
Show SMILES COc1ccc(C(O)=O)c(Nc2ccccc2)c1
Show InChI InChI=1S/C14H13NO3/c1-18-11-7-8-12(14(16)17)13(9-11)15-10-5-3-2-4-6-10/h2-9,15H,1H3,(H,16,17)
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n/an/a 1.66E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)

More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50385760
PNG
(CHEMBL2043312)
Show SMILES COc1ccc(C(O)=O)c(Nc2ccccc2OC)c1
Show InChI InChI=1S/C15H15NO4/c1-19-10-7-8-11(15(17)18)13(9-10)16-12-5-3-4-6-14(12)20-2/h3-9,16H,1-2H3,(H,17,18)
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n/an/a 1.73E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)

More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50385763
PNG
(CHEMBL2043316)
Show SMILES COc1ccc(C(O)=O)c(Nc2cccc(C)c2)c1
Show InChI InChI=1S/C15H15NO3/c1-10-4-3-5-11(8-10)16-14-9-12(19-2)6-7-13(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
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n/an/a 640n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)

More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50385764
PNG
(CHEMBL2043317)
Show SMILES COc1ccc(C(O)=O)c(Nc2cccc(c2)C(O)=O)c1
Show InChI InChI=1S/C15H13NO5/c1-21-11-5-6-12(15(19)20)13(8-11)16-10-4-2-3-9(7-10)14(17)18/h2-8,16H,1H3,(H,17,18)(H,19,20)
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n/an/a 1.45E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)

More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50385766
PNG
(CHEMBL2043319)
Show SMILES COc1ccc(C(O)=O)c(Nc2ccc(cc2)C(C)=O)c1
Show InChI InChI=1S/C16H15NO4/c1-10(18)11-3-5-12(6-4-11)17-15-9-13(21-2)7-8-14(15)16(19)20/h3-9,17H,1-2H3,(H,19,20)
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n/an/a 500n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)

More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50385767
PNG
(CHEMBL2043320)
Show SMILES COc1ccc(C(O)=O)c(Nc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C14H12ClNO3/c1-19-11-6-7-12(14(17)18)13(8-11)16-10-4-2-9(15)3-5-10/h2-8,16H,1H3,(H,17,18)
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n/an/a 220n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)

More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50385769
PNG
(CHEMBL2043322)
Show SMILES COc1ccc(Nc2cc(OC)ccc2C(O)=O)cc1
Show InChI InChI=1S/C15H15NO4/c1-19-11-5-3-10(4-6-11)16-14-9-12(20-2)7-8-13(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
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n/an/a 250n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)

More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50385770
PNG
(CHEMBL2043323)
Show SMILES COc1ccc(C(O)=O)c(Nc2ccc(C)cc2)c1
Show InChI InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)16-14-9-12(19-2)7-8-13(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
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n/an/a 800n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)

More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50385771
PNG
(CHEMBL2040884)
Show SMILES COc1ccc(C(O)=O)c(Nc2ccc(cc2)C(C)(C)C)c1
Show InChI InChI=1S/C18H21NO3/c1-18(2,3)12-5-7-13(8-6-12)19-16-11-14(22-4)9-10-15(16)17(20)21/h5-11,19H,1-4H3,(H,20,21)
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n/an/a 80n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)

More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM35912
PNG
(flufenamic acid analogue, 38)
Show SMILES OC(=O)c1ccccc1Nc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C19H15NO3/c21-19(22)17-11-4-5-12-18(17)20-14-7-6-10-16(13-14)23-15-8-2-1-3-9-15/h1-13,20H,(H,21,22)
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n/an/an/an/a 4.25E+4n/an/a7.223



St. Jude Research Hospital



Assay Description
AR functionality was determined by fluorescence polarization (excitation @485 nm, emission @ 530 nm) assay, which measures fluorescently labeled SRC2...


ACS Chem Biol 4: 834-43 (2009)

More data for this
Ligand-Target Pair