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Compile Data Set for Download or QSAR

Found 157 hits Enz. Inhib. hit(s) with Target = 'Aldo-keto reductase family 1 member C4'   
Target
(Institution)
LigandTarget
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 C4


(Homo sapiens)
BDBM50427622
PNG
(CHEMBL2323508)
Show SMILES CCc1c(CCC(O)=O)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12
Show InChI InChI=1S/C21H20ClNO4/c1-3-16-17-12-15(27-2)8-9-19(17)23(18(16)10-11-20(24)25)21(26)13-4-6-14(22)7-5-13/h4-9,12H,3,10-11H2,1-2H3,(H,24,25)
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n/an/a 1.95E+3n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AKR1C4-mediated NADP+-dependent oxidation of S-(+)-1,2,3,4-tetrahydro-1-naphthol


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50029207
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1O
Show InChI InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+
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n/an/a 2.30E+3n/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged AKR1C4 expressed in Escherichia coli using S-tetralol as substrate by fluorometry


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50396689
PNG
(CHEMBL2172077)
Show SMILES OC(=O)[C@H]1CCCN(C1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C16H17NO4S/c18-16(19)14-6-3-9-17(11-14)22(20,21)15-8-7-12-4-1-2-5-13(12)10-15/h1-2,4-5,7-8,10,14H,3,6,9,11H2,(H,18,19)/t14-/m0/s1
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n/an/a>3.00E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His6-tagged AKR1C4 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50427624
PNG
(CHEMBL2323522)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c3CCC(Cc3c2c1)C(O)=O
Show InChI InChI=1S/C21H18ClNO4/c1-27-15-7-9-19-17(11-15)16-10-13(21(25)26)4-8-18(16)23(19)20(24)12-2-5-14(22)6-3-12/h2-3,5-7,9,11,13H,4,8,10H2,1H3,(H,25,26)
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n/an/a 3.15E+3n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AKR1C4-mediated NADP+-dependent oxidation of S-(+)-1,2,3,4-tetrahydro-1-naphthol


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50427620
PNG
(CHEMBL2323507)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(CCC(O)=O)c(C)c2c1
Show InChI InChI=1S/C20H18ClNO4/c1-12-16-11-15(26-2)7-8-18(16)22(17(12)9-10-19(23)24)20(25)13-3-5-14(21)6-4-13/h3-8,11H,9-10H2,1-2H3,(H,23,24)
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n/an/a 3.51E+3n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AKR1C4-mediated NADP+-dependent oxidation of S-(+)-1,2,3,4-tetrahydro-1-naphthol


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50385687
PNG
(CHEMBL2041555)
Show SMILES OC(=O)c1cccc(Nc2ccc(cc2[N+]([O-])=O)C(F)(F)F)c1
Show InChI InChI=1S/C14H9F3N2O4/c15-14(16,17)9-4-5-11(12(7-9)19(22)23)18-10-3-1-2-8(6-10)13(20)21/h1-7,18H,(H,20,21)
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n/an/a 5.50E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C4 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50382163
PNG
(CHEMBL2023820)
Show SMILES OC(=O)c1cccc(Nc2ccc([N+]([O-])=O)c3ccccc23)c1
Show InChI InChI=1S/C17H12N2O4/c20-17(21)11-4-3-5-12(10-11)18-15-8-9-16(19(22)23)14-7-2-1-6-13(14)15/h1-10,18H,(H,20,21)
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n/an/a 8.17E+3n/an/an/an/an/an/a



Perelman School of Medicine University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C4 assessed as enzyme catalyzed oxidation of S-tetralol by fluorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50396647
PNG
(CHEMBL2172083)
Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccc(cc2C1)-c1nnn[nH]1
Show InChI InChI=1S/C17H15N5O4S/c23-17(24)13-2-1-3-15(9-13)27(25,26)22-7-6-11-4-5-12(8-14(11)10-22)16-18-20-21-19-16/h1-5,8-9H,6-7,10H2,(H,23,24)(H,18,19,20,21)
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n/an/a 9.81E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His6-tagged AKR1C4 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50427619
PNG
(CHEMBL2323511)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(CCC(=O)NS(C)(=O)=O)c(C)c2c1
Show InChI InChI=1S/C21H21ClN2O5S/c1-13-17-12-16(29-2)8-9-19(17)24(21(26)14-4-6-15(22)7-5-14)18(13)10-11-20(25)23-30(3,27)28/h4-9,12H,10-11H2,1-3H3,(H,23,25)
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n/an/a 1.26E+4n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AKR1C4-mediated NADP+-dependent oxidation of S-(+)-1,2,3,4-tetrahydro-1-naphthol


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50024764
PNG
(CHEMBL3337721)
Show SMILES OC(=O)\C=C\c1ccc(OC(=O)CCc2ccccc2)c(OCc2cccc(O)c2)c1
Show InChI InChI=1S/C25H22O6/c26-21-8-4-7-20(15-21)17-30-23-16-19(10-13-24(27)28)9-12-22(23)31-25(29)14-11-18-5-2-1-3-6-18/h1-10,12-13,15-16,26H,11,14,17H2,(H,27,28)/b13-10+
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n/an/a 2.00E+4n/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of AKR1C4 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50390657
PNG
(CHEMBL2070002)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(O)c1
Show InChI InChI=1S/C14H10ClNO4/c15-9-4-5-12(11(7-9)14(19)20)16-13(18)8-2-1-3-10(17)6-8/h1-7,17H,(H,16,18)(H,19,20)
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n/an/a 2.01E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C4 using S-tetralol as substrate by fluorimetry


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50385688
PNG
(CHEMBL2041556)
Show SMILES COc1ccc(Nc2cccc(c2)C(O)=O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H12N2O5/c1-21-11-5-6-12(13(8-11)16(19)20)15-10-4-2-3-9(7-10)14(17)18/h2-8,15H,1H3,(H,17,18)
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n/an/a 2.04E+4n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C4 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50337282
PNG
(3-[N-(4-acetylphenyl)amino]benzoic acid | CHEMBL16...)
Show SMILES CC(=O)c1ccc(Nc2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C15H13NO3/c1-10(17)11-5-7-13(8-6-11)16-14-4-2-3-12(9-14)15(18)19/h2-9,16H,1H3,(H,18,19)
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n/an/a 2.57E+4n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C4 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50385686
PNG
(CHEMBL2041554)
Show SMILES CC(=O)c1ccc(Nc2cccc(c2)C(O)=O)c(c1)C(O)=O
Show InChI InChI=1S/C16H13NO5/c1-9(18)10-5-6-14(13(8-10)16(21)22)17-12-4-2-3-11(7-12)15(19)20/h2-8,17H,1H3,(H,19,20)(H,21,22)
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n/an/a 2.87E+4n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C4 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50396655
PNG
(CHEMBL2172118)
Show SMILES Cc1ccc2CN(CCc2c1)S(=O)(=O)c1cccc(c1)C(O)=O
Show InChI InChI=1S/C17H17NO4S/c1-12-5-6-15-11-18(8-7-13(15)9-12)23(21,22)16-4-2-3-14(10-16)17(19)20/h2-6,9-10H,7-8,11H2,1H3,(H,19,20)
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His6-tagged AKR1C4 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50396656
PNG
(CHEMBL2172117)
Show SMILES COc1cccc2CN(CCc12)S(=O)(=O)c1cccc(c1)C(O)=O
Show InChI InChI=1S/C17H17NO5S/c1-23-16-7-3-5-13-11-18(9-8-15(13)16)24(21,22)14-6-2-4-12(10-14)17(19)20/h2-7,10H,8-9,11H2,1H3,(H,19,20)
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His6-tagged AKR1C4 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50396722
PNG
(CHEMBL2172116)
Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(O)cccc2C1
Show InChI InChI=1S/C16H15NO5S/c18-15-6-2-4-12-10-17(8-7-14(12)15)23(21,22)13-5-1-3-11(9-13)16(19)20/h1-6,9,18H,7-8,10H2,(H,19,20)
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His6-tagged AKR1C4 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50396657
PNG
(CHEMBL2172115)
Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(I)cccc2C1
Show InChI InChI=1S/C16H14INO4S/c17-15-6-2-4-12-10-18(8-7-14(12)15)23(21,22)13-5-1-3-11(9-13)16(19)20/h1-6,9H,7-8,10H2,(H,19,20)
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His6-tagged AKR1C4 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50396658
PNG
(CHEMBL2172114)
Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(Br)cccc2C1
Show InChI InChI=1S/C16H14BrNO4S/c17-15-6-2-4-12-10-18(8-7-14(12)15)23(21,22)13-5-1-3-11(9-13)16(19)20/h1-6,9H,7-8,10H2,(H,19,20)
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His6-tagged AKR1C4 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50396659
PNG
(CHEMBL2172113)
Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(Cl)cccc2C1
Show InChI InChI=1S/C16H14ClNO4S/c17-15-6-2-4-12-10-18(8-7-14(12)15)23(21,22)13-5-1-3-11(9-13)16(19)20/h1-6,9H,7-8,10H2,(H,19,20)
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His6-tagged AKR1C4 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50396694
PNG
(CHEMBL2172112)
Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(C1)cccc2[N+]([O-])=O
Show InChI InChI=1S/C16H14N2O6S/c19-16(20)11-3-1-5-13(9-11)25(23,24)17-8-7-14-12(10-17)4-2-6-15(14)18(21)22/h1-6,9H,7-8,10H2,(H,19,20)
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His6-tagged AKR1C4 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50396660
PNG
(CHEMBL2172111)
Show SMILES Nc1cccc2CN(CCc12)S(=O)(=O)c1cccc(c1)C(O)=O
Show InChI InChI=1S/C16H16N2O4S/c17-15-6-2-4-12-10-18(8-7-14(12)15)23(21,22)13-5-1-3-11(9-13)16(19)20/h1-6,9H,7-8,10,17H2,(H,19,20)
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His6-tagged AKR1C4 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50396661
PNG
(CHEMBL2172110)
Show SMILES CC1Cc2ccccc2CN1S(=O)(=O)c1cccc(c1)C(O)=O
Show InChI InChI=1S/C17H17NO4S/c1-12-9-13-5-2-3-6-15(13)11-18(12)23(21,22)16-8-4-7-14(10-16)17(19)20/h2-8,10,12H,9,11H2,1H3,(H,19,20)
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His6-tagged AKR1C4 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50396662
PNG
(CHEMBL2172109)
Show SMILES CC1N(CCc2ccccc12)S(=O)(=O)c1cccc(c1)C(O)=O
Show InChI InChI=1S/C17H17NO4S/c1-12-16-8-3-2-5-13(16)9-10-18(12)23(21,22)15-7-4-6-14(11-15)17(19)20/h2-8,11-12H,9-10H2,1H3,(H,19,20)
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His6-tagged AKR1C4 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50430723
PNG
(CHEMBL2333924)
Show SMILES CC1CCCCN1S(=O)(=O)c1ccc(cc1)N1CCCS1(=O)=O
Show InChI InChI=1S/C15H22N2O4S2/c1-13-5-2-3-10-16(13)23(20,21)15-8-6-14(7-9-15)17-11-4-12-22(17,18)19/h6-9,13H,2-5,10-12H2,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human AKR1C4 expressed in Escherichia coli BL21 (DE3) assessed as inhibition of reduction of non-fluorescent ketone probe to...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50430700
PNG
(CHEMBL2333922)
Show SMILES CC1CCCCN1S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C17H26N2O3S/c1-13-7-5-6-12-19(13)23(21,22)15-10-8-14(9-11-15)18-16(20)17(2,3)4/h8-11,13H,5-7,12H2,1-4H3,(H,18,20)
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human AKR1C4 expressed in Escherichia coli BL21 (DE3) assessed as inhibition of reduction of non-fluorescent ketone probe to...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50430703
PNG
(CHEMBL2333919)
Show SMILES CC1CCCCN1S(=O)(=O)c1ccc(cn1)N1CCCC1=O
Show InChI InChI=1S/C15H21N3O3S/c1-12-5-2-3-10-18(12)22(20,21)14-8-7-13(11-16-14)17-9-4-6-15(17)19/h7-8,11-12H,2-6,9-10H2,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human AKR1C4 expressed in Escherichia coli BL21 (DE3) assessed as inhibition of reduction of non-fluorescent ketone probe to...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50430708
PNG
(CHEMBL2333533)
Show SMILES CC1CCCCN1S(=O)(=O)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C17H24N2O3S/c1-14-6-2-5-13-19(14)23(21,22)16-10-8-15(9-11-16)18-12-4-3-7-17(18)20/h8-11,14H,2-7,12-13H2,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human AKR1C4 expressed in Escherichia coli BL21 (DE3) assessed as inhibition of reduction of non-fluorescent ketone probe to...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50430709
PNG
(CHEMBL2333532)
Show SMILES CC1CCCCN1S(=O)(=O)c1ccc(cc1)N1CCC1=O
Show InChI InChI=1S/C15H20N2O3S/c1-12-4-2-3-10-17(12)21(19,20)14-7-5-13(6-8-14)16-11-9-15(16)18/h5-8,12H,2-4,9-11H2,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human AKR1C4 expressed in Escherichia coli BL21 (DE3) assessed as inhibition of reduction of non-fluorescent ketone probe to...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50430714
PNG
(CHEMBL2333527)
Show SMILES O[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)N1CCCC1=O
Show InChI InChI=1S/C15H20N2O4S/c18-13-3-1-9-16(11-13)22(20,21)14-7-5-12(6-8-14)17-10-2-4-15(17)19/h5-8,13,18H,1-4,9-11H2/t13-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human AKR1C4 expressed in Escherichia coli BL21 (DE3) assessed as inhibition of reduction of non-fluorescent ketone probe to...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50430715
PNG
(CHEMBL2333526)
Show SMILES O[C@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)N1CCCC1=O
Show InChI InChI=1S/C15H20N2O4S/c18-13-3-1-9-16(11-13)22(20,21)14-7-5-12(6-8-14)17-10-2-4-15(17)19/h5-8,13,18H,1-4,9-11H2/t13-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human AKR1C4 expressed in Escherichia coli BL21 (DE3) assessed as inhibition of reduction of non-fluorescent ketone probe to...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50430716
PNG
(CHEMBL2333525)
Show SMILES C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(cc1)N1CCCC1=O
Show InChI InChI=1S/C17H24N2O3S/c1-13-5-3-6-14(2)19(13)23(21,22)16-10-8-15(9-11-16)18-12-4-7-17(18)20/h8-11,13-14H,3-7,12H2,1-2H3/t13-,14-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human AKR1C4 expressed in Escherichia coli BL21 (DE3) assessed as inhibition of reduction of non-fluorescent ketone probe to...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50430717
PNG
(CHEMBL2333524)
Show SMILES CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)N1CCCC1=O
Show InChI InChI=1S/C16H22N2O3S/c1-13-8-11-17(12-9-13)22(20,21)15-6-4-14(5-7-15)18-10-2-3-16(18)19/h4-7,13H,2-3,8-12H2,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human AKR1C4 expressed in Escherichia coli BL21 (DE3) assessed as inhibition of reduction of non-fluorescent ketone probe to...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50430718
PNG
(CHEMBL2333523)
Show SMILES CC1CCCN(C1)S(=O)(=O)c1ccc(cc1)N1CCCC1=O
Show InChI InChI=1S/C16H22N2O3S/c1-13-4-2-10-17(12-13)22(20,21)15-8-6-14(7-9-15)18-11-3-5-16(18)19/h6-9,13H,2-5,10-12H2,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human AKR1C4 expressed in Escherichia coli BL21 (DE3) assessed as inhibition of reduction of non-fluorescent ketone probe to...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50430719
PNG
(CHEMBL2333522)
Show SMILES C[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)N1CCCC1=O
Show InChI InChI=1S/C16H22N2O3S/c1-13-5-2-3-12-18(13)22(20,21)15-9-7-14(8-10-15)17-11-4-6-16(17)19/h7-10,13H,2-6,11-12H2,1H3/t13-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human AKR1C4 expressed in Escherichia coli BL21 (DE3) assessed as inhibition of reduction of non-fluorescent ketone probe to...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50430719
PNG
(CHEMBL2333522)
Show SMILES C[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)N1CCCC1=O
Show InChI InChI=1S/C16H22N2O3S/c1-13-5-2-3-12-18(13)22(20,21)15-9-7-14(8-10-15)17-11-4-6-16(17)19/h7-10,13H,2-6,11-12H2,1H3/t13-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human AKR1C4 expressed in Escherichia coli BL21 (DE3) assessed as inhibition of reduction of non-fluorescent ketone probe to...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50430722
PNG
(CHEMBL1726890)
Show SMILES O=C1CCCN1c1ccc(cc1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C15H20N2O3S/c18-15-5-4-12-17(15)13-6-8-14(9-7-13)21(19,20)16-10-2-1-3-11-16/h6-9H,1-5,10-12H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human AKR1C4 expressed in Escherichia coli BL21 (DE3) assessed as inhibition of reduction of non-fluorescent ketone probe to...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50396700
PNG
(CHEMBL2172076)
Show SMILES O=C1CCCN1c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C19H20N2O3S/c22-19-6-3-12-21(19)17-7-9-18(10-8-17)25(23,24)20-13-11-15-4-1-2-5-16(15)14-20/h1-2,4-5,7-10H,3,6,11-14H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human AKR1C4 expressed in Escherichia coli BL21 (DE3) assessed as inhibition of reduction of non-fluorescent ketone probe to...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50445996
PNG
(CHEMBL3103328)
Show SMILES Clc1ccc(cc1)N1CC2CC1CN2C(=O)N1CCOCC1
Show InChI InChI=1S/C16H20ClN3O2/c17-12-1-3-13(4-2-12)19-10-15-9-14(19)11-20(15)16(21)18-5-7-22-8-6-18/h1-4,14-15H,5-11H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C4 (unknown origin) after 1 hr by competitive fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50445994
PNG
(CHEMBL3103324)
Show SMILES Clc1ccc(cc1)N1CCN(CC1)C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C20H22ClN3O/c21-18-5-7-19(8-6-18)22-11-13-23(14-12-22)20(25)24-10-9-16-3-1-2-4-17(16)15-24/h1-8H,9-15H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C4 (unknown origin) after 1 hr by competitive fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50445995
PNG
(CHEMBL3103323)
Show SMILES OCC(=O)N1CCN(CC1)C(=O)N1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H23ClN4O3/c18-14-1-3-15(4-2-14)19-5-9-21(10-6-19)17(25)22-11-7-20(8-12-22)16(24)13-23/h1-4,23H,5-13H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C4 (unknown origin) after 1 hr by competitive fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50445997
PNG
(CHEMBL3103341)
Show SMILES Clc1ccc(cc1)N1CCN(CC1)C(=O)N1CCSCC1
Show InChI InChI=1S/C15H20ClN3OS/c16-13-1-3-14(4-2-13)17-5-7-18(8-6-17)15(20)19-9-11-21-12-10-19/h1-4H,5-12H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C4 (unknown origin) after 1 hr by competitive fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50445998
PNG
(CHEMBL1545268)
Show SMILES Clc1ccc(cc1)N1CCN(CC1)C(=O)N1CCCCC1
Show InChI InChI=1S/C16H22ClN3O/c17-14-4-6-15(7-5-14)18-10-12-20(13-11-18)16(21)19-8-2-1-3-9-19/h4-7H,1-3,8-13H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C4 (unknown origin) after 1 hr by competitive fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50446021
PNG
(CHEMBL3103336)
Show SMILES Clc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C16H20ClN3O3/c17-14-3-1-13(2-4-14)15(21)18-5-7-19(8-6-18)16(22)20-9-11-23-12-10-20/h1-4H,5-12H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C4 (unknown origin) after 1 hr by competitive fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50446022
PNG
(CHEMBL3103335)
Show SMILES Clc1ccc(CN2CCN(CC2)C(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C16H22ClN3O2/c17-15-3-1-14(2-4-15)13-18-5-7-19(8-6-18)16(21)20-9-11-22-12-10-20/h1-4H,5-13H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C4 (unknown origin) after 1 hr by competitive fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50446013
PNG
(CHEMBL3103334)
Show SMILES Brc1ccc(nc1)N1CCN(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C14H19BrN4O2/c15-12-1-2-13(16-11-12)17-3-5-18(6-4-17)14(20)19-7-9-21-10-8-19/h1-2,11H,3-10H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C4 (unknown origin) after 1 hr by competitive fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50446023
PNG
(CHEMBL3103333)
Show SMILES Clc1ccc(cn1)N1CCN(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C14H19ClN4O2/c15-13-2-1-12(11-16-13)17-3-5-18(6-4-17)14(20)19-7-9-21-10-8-19/h1-2,11H,3-10H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C4 (unknown origin) after 1 hr by competitive fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50446014
PNG
(CHEMBL3103332)
Show SMILES OCc1cc(Cl)ccc1N1CCN(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C16H22ClN3O3/c17-14-1-2-15(13(11-14)12-21)18-3-5-19(6-4-18)16(22)20-7-9-23-10-8-20/h1-2,11,21H,3-10,12H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C4 (unknown origin) after 1 hr by competitive fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50446015
PNG
(CHEMBL3103331)
Show SMILES Cc1cc(Cl)ccc1N1CCN(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C16H22ClN3O2/c1-13-12-14(17)2-3-15(13)18-4-6-19(7-5-18)16(21)20-8-10-22-11-9-20/h2-3,12H,4-11H2,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C4 (unknown origin) after 1 hr by competitive fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens)
BDBM50446016
PNG
(CHEMBL3103330)
Show SMILES Clc1ccc(N2CCN(CC2)C(=O)N2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C15H19Cl2N3O2/c16-12-1-2-14(13(17)11-12)18-3-5-19(6-4-18)15(21)20-7-9-22-10-8-20/h1-2,11H,3-10H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C4 (unknown origin) after 1 hr by competitive fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
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