Compile Data Set for Download or QSAR
Report error Found 57 of ki data for polymerid = 1799
LigandPNGBDBM17285((2R,15'S)-5,5,15'-trimethyl-6-oxospiro[oxane-2,14'...)
Affinity DataKi:  6.90nM ΔG°:  -48.5kJ/molepH: 7.5 T: 2°CAssay Description:A radioactive assay was used for the enzyme kinetics in the presence of EM1404 at different concentrations for its Ki determination. Reactions were i...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2007
Entry Details Article
PubMed
LigandPNGBDBM220118(US9271961, EM1404)
Affinity DataKi:  6.90nMAssay Description:Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/3/2017
Entry Details
US Patent

LigandPNGBDBM50384947(CHEMBL521703)
Affinity DataKi:  6.90nMAssay Description:Inhibition of human GST-tagged 17betaHSD5 expressed in Escherichia coli by radiometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
LigandPNGBDBM35905(cid_610479 | flufenamic acid analogue, 32 | Tolfen...)
Affinity DataKi:  8nMAssay Description:Inhibition of human AKR1C3 using S-(+)-1,2,3,4-tetrahydro-1-naphthol as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
LigandPNGBDBM50533570(CHEMBL4435662 | US11459295, Compound LM5750A 8b)
Affinity DataKi:  31nMAssay Description:Competitive inhibition of human recombinant AKR1C3 using S-tetralol as substrate assessed as reduction in NADP+-dependent S-tetralol oxidation preinc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
LigandPNGBDBM50384946(CHEMBL511708)
Affinity DataKi:  56nMAssay Description:Noncompetitive inhibition of human recombinant AKR1C3 expressed in Escherichia coli JM109 cells using S-tetralol as substrate by fluorometry in prese...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
LigandPNGBDBM50384946(CHEMBL511708)
Affinity DataKi:  56nMAssay Description:Competitive inhibition of human recombinant AKR1C3 expressed in Escherichia coli JM109 cells using S-tetralol as substrate by fluorometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
LigandPNGBDBM50384946(CHEMBL511708)
Affinity DataKi:  56nMAssay Description:Competitive inhibition of human recombinant AKR1C3 expressed in Escherichia coli JM109 cells using NADP+ linked S-tetralol as substrate by fluorometr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
LigandPNGBDBM50139171(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)
Affinity DataKi:  70nMAssay Description:Inhibition of human AKR1C3 expressed in Escherichia coli incubated for 30 mins in presence of NADPH regeneration system by UHPLC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed
LigandPNGBDBM50396749(CHEMBL2172258)
Affinity DataKi:  107nMAssay Description:Competitive inhibition of human recombinant AKR1C3 assessed as S-tetralol oxidation by Cheng-Prusoff equation analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataKi:  140nM ΔG°:  -39.8kJ/molepH: 7.0 T: 2°CAssay Description:A fluorescence assay was used to determine the kinetic constants for the oxidation of 3alpha-androstanediol. The fluorescence emission of NADPH at 45...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2007
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM17638(indometacin | Indocin | 2-{1-[(4-chlorophenyl)carb...)
Affinity DataKi:  270nM ΔG°:  -38.1kJ/molepH: 7.0 T: 2°CAssay Description:A fluorescence assay was used to determine the kinetic constants for the oxidation of 3alpha-androstanediol. The fluorescence emission of NADPH at 45...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2007
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50134036(cid_4044 | mefanamic acid | CHEMBL686 | CI-473 | C...)
Affinity DataKi:  300nMAssay Description:Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM220117(US9271961, 4-Carboxy-2',4'-dinitrodiphenyl...)
Affinity DataKi:  380nMAssay Description:Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/3/2017
Entry Details
US Patent

LigandPNGBDBM50362836(ARTEPILLIN)
Affinity DataKi:  680nMAssay Description:Noncompetitive inhibition of human recombinant AKR1C3 expressed in Escherichia coli JM109 cells using S-tetralol as substrate by fluorometry in prese...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
LigandPNGBDBM50362836(ARTEPILLIN)
Affinity DataKi:  680nMAssay Description:Competitive inhibition of human recombinant AKR1C3 expressed in Escherichia coli JM109 cells using S-tetralol as substrate by fluorometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
LigandPNGBDBM50533570(CHEMBL4435662 | US11459295, Compound LM5750A 8b)
Affinity DataKi:  750nMAssay Description:Competitive inhibition of human recombinant AKR1C3 using assessed as reduction in NADPH-dependent reduction of delat4-androsten-3,17-dione preincubat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
LigandPNGBDBM7585(2,6,9-Trisubstituted purine deriv. 27 | CHEMBL5238...)
Affinity DataKi:  1.40E+3nMAssay Description:Inhibition of human AKR1C3 expressed in Escherichia coli incubated for 30 mins in presence of NADPH regeneration system by UHPLC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed
LigandPNGBDBM220121(US9271961, Cloxazolam)
Affinity DataKi:  1.50E+3nMAssay Description:Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/3/2017
Entry Details
US Patent

LigandPNGBDBM50396749(CHEMBL2172258)
Affinity DataKi:  2.00E+3nMAssay Description:Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
LigandPNGBDBM17638(indometacin | Indocin | 2-{1-[(4-chlorophenyl)carb...)
Affinity DataKi:  2.10E+3nM ΔG°:  -33.0kJ/molepH: 7.0 T: 2°CAssay Description:Enzyme activity was measured in the reductive direction against varying concentrations of androsterone. Initial velocities were measured by observing...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2007
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50396748(CHEMBL366350)
Affinity DataKi:  2.73E+3nMAssay Description:Competitive inhibition of human recombinant AKR1C3 assessed as S-tetralol oxidation by Cheng-Prusoff equation analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataKi:  3.10E+3nM ΔG°:  -32.0kJ/molepH: 7.0 T: 2°CAssay Description:Enzyme activity was measured in the reductive direction against varying concentrations of androsterone. Initial velocities were measured by observing...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2007
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50396731(CHEMBL2172254)
Affinity DataKi:  4.00E+3nMAssay Description:Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
LigandPNGBDBM50219490(5-bromo-4-hydroxybiphenyl-3-carboxylic acid | 3-Br...)
Affinity DataKi:  4.20E+3nMAssay Description:Inhibition of human recombinant type 2 3-alpha-HSD expressed in Escherichia coli JM109More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
LigandPNGBDBM50546239(CHEMBL103579)
Affinity DataKi:  5.50E+3nMAssay Description:Inhibition of human AKR1C3 expressed in Escherichia coli incubated for 30 mins in presence of NADPH regeneration system by UHPLC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed
LigandPNGBDBM220116(US9271961, CBM)
Affinity DataKi:  6.00E+3nMAssay Description:Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/3/2017
Entry Details
US Patent

LigandPNGBDBM17638(indometacin | Indocin | 2-{1-[(4-chlorophenyl)carb...)
Affinity DataKi:  8.20E+3nMAssay Description:Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/3/2017
Entry Details
US Patent
PDB3D3D Structure (crystal)
LigandPNGBDBM50396739(CHEMBL2172243)
Affinity DataKi:  1.20E+4nMAssay Description:Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
LigandPNGBDBM50380363(CHEMBL2017974 | US10173995, Compound 1)
Affinity DataKi:  1.40E+4nMAssay Description:Inhibition of human AKR1C3 expressed in Escherichia coli incubated for 30 mins in presence of NADPH regeneration system by UHPLC method based Linewea...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed
LigandPNGBDBM50293439(2-(4-chlorobenzylidene)cyclopentylmethyl ether | C...)
Affinity DataKi:  1.62E+4nMAssay Description:Inhibition of human recombinant GST-tagged AKR1C3 expressed in Escherichia coli BL21More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2010
Entry Details Article
PubMed
LigandPNGBDBM50293436(2-(4-chlorobenzylidene)cyclopentyl ethyl ether | C...)
Affinity DataKi:  2.05E+4nMAssay Description:Inhibition of human recombinant GST-tagged AKR1C3 expressed in Escherichia coli BL21More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2010
Entry Details Article
PubMed
LigandPNGBDBM50240769(5-Bromo-2-hydroxy-biphenyl-3-carboxylic acid | 3-P...)
Affinity DataKi:  2.10E+4nMAssay Description:Inhibition of human recombinant type 2 3-alpha-HSD expressed in Escherichia coli JM109More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
LigandPNGBDBM50396691(CHEMBL449572 | US9271961, Jasmonic acid)
Affinity DataKi:  2.10E+4nMAssay Description:Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/3/2017
Entry Details
US Patent

LigandPNGBDBM50249792(3,5-Dibromosalicylic acid | CHEMBL447448)
Affinity DataKi:  2.30E+4nMAssay Description:Inhibition of human recombinant type 2 3-alpha-HSD expressed in Escherichia coli JM109More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
LigandPNGBDBM50396691(CHEMBL449572 | US9271961, Jasmonic acid)
Affinity DataKi:  2.40E+4nMAssay Description:Inhibition of recombinant full-length human N-terminal His6-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) using phenanthrenequinone as subst...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
LigandPNGBDBM50396748(CHEMBL366350)
Affinity DataKi:  3.20E+4nMAssay Description:Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
LigandPNGBDBM50293435(2-(4-Chlorobenzylidene)cyclopentanone | CHEMBL5623...)
Affinity DataKi:  3.34E+4nMAssay Description:Inhibition of human recombinant GST-tagged AKR1C3 expressed in Escherichia coli BL21More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2010
Entry Details Article
PubMed
LigandPNGBDBM50396740(CHEMBL2172242)
Affinity DataKi:  3.60E+4nMAssay Description:Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
LigandPNGBDBM34643(3-(3-hydroxy-3-oxopropylamino)naphthalene-2-carbox...)
Affinity DataKi:  4.40E+4nMAssay Description:Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
LigandPNGBDBM50396732(CHEMBL2172252)
Affinity DataKi:  5.40E+4nMAssay Description:Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
LigandPNGBDBM50293437(3-Phenylcyclopentanecarboxylic acid | CHEMBL554283)
Affinity DataKi:  6.96E+4nMAssay Description:Inhibition of human recombinant GST-tagged AKR1C3 expressed in Escherichia coli BL21More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2010
Entry Details Article
PubMed
LigandPNGBDBM50396736(CHEMBL2172249)
Affinity DataKi:  7.20E+4nMAssay Description:Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
LigandPNGBDBM50396729(CHEMBL1414132)
Affinity DataKi:  7.60E+4nMAssay Description:Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
LigandPNGBDBM50396741(CHEMBL2172240)
Affinity DataKi:  8.20E+4nMAssay Description:Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
LigandPNGBDBM50396745(CHEMBL1580175)
Affinity DataKi:  8.70E+4nMAssay Description:Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
LigandPNGBDBM26269(3,5-dichloro-2-hydroxybenzoic acid | CHEMBL449129 ...)
Affinity DataKi:  9.40E+4nM ΔG°:  -23.0kJ/molepH: 7.4 T: 2°CAssay Description:The activity was assayed by measuring the rate of change in NADPH fluorescence (at 455 nm with an excitation wavelength of 340 nm) at 298 K. When the...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50396735(CHEMBL2172250)
Affinity DataKi:  1.11E+5nMAssay Description:Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
LigandPNGBDBM50396733(CHEMBL2172251)
Affinity DataKi:  1.17E+5nMAssay Description:Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
LigandPNGBDBM50396750(CHEMBL2172259)
Affinity DataKi:  1.18E+5nMAssay Description:Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
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