Compile Data Set for Download or QSAR
Found 41 with Last Name = 'raftery' and Initial = 'ed'
TargetAndrogen receptor(Homo sapiens (Human))
Georgia Institute of Technology

LigandPNGBDBM8885((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)copy SMILEScopy InChI
Affinity DataKi:  3.20nM IC50: 4.70nMAssay Description:A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...More data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Georgia Institute of Technology

LigandPNGBDBM104030(Aryl Nilutamide HDACi analog 14e)copy SMILEScopy InChI
Affinity DataKi:  440nM IC50: 650nMAssay Description:A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CR5S01PubMed
TargetAndrogen receptor(Homo sapiens (Human))
Georgia Institute of Technology

LigandPNGBDBM104029(Aryl Nilutamide HDACi analog 14d)copy SMILEScopy InChI
Affinity DataKi:  460nM IC50: 690nMAssay Description:A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CR5S01PubMed
TargetAndrogen receptor(Homo sapiens (Human))
Georgia Institute of Technology

LigandPNGBDBM104027(Aryl Nilutamide HDACi analog 14b)copy SMILEScopy InChI
Affinity DataKi:  670nM IC50: 1.00E+3nMAssay Description:A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CR5S01PubMed
TargetAndrogen receptor(Homo sapiens (Human))
Georgia Institute of Technology

LigandPNGBDBM104026(Aryl Nilutamide HDACi analog 14a)copy SMILEScopy InChI
Affinity DataKi:  720nM IC50: 1.08E+3nMAssay Description:A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CR5S01PubMed
TargetAndrogen receptor(Homo sapiens (Human))
Georgia Institute of Technology

LigandPNGBDBM104028(Aryl Nilutamide HDACi analog 14c)copy SMILEScopy InChI
Affinity DataKi:  800nM IC50: 1.20E+3nMAssay Description:A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CR5S01PubMed
TargetAndrogen receptor(Homo sapiens (Human))
Georgia Institute of Technology

LigandPNGBDBM104037(Alkyl Nilutamide HDACi analog 15f)copy SMILEScopy InChI
Affinity DataKi:  960nM IC50: 1.43E+3nMAssay Description:A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CR5S01PubMed
TargetAndrogen receptor(Homo sapiens (Human))
Georgia Institute of Technology

LigandPNGBDBM104031(Aryl Nilutamide HDACi analog 14f)copy SMILEScopy InChI
Affinity DataKi:  1.06E+3nM IC50: 1.59E+3nMAssay Description:A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CR5S01PubMed
TargetAndrogen receptor(Homo sapiens (Human))
Georgia Institute of Technology

LigandPNGBDBM50135908(4-(4,4-Dimethyl-2,5-dioxo-imidazolidin-1-yl)-2-tri...)copy SMILEScopy InChI
Affinity DataKi:  1.28E+3nM IC50: 1.91E+3nMAssay Description:A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CR5S01PubMed
TargetAndrogen receptor(Homo sapiens (Human))
Georgia Institute of Technology

LigandPNGBDBM50425732(ENZALUTAMIDE | US10053433, FC 4.129 | US10806720, ...)copy SMILEScopy InChI
Affinity DataKi:  1.35E+3nM IC50: 2.03E+3nMAssay Description:A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CR5S01PubMedDrugBank
TargetAndrogen receptor(Homo sapiens (Human))
Georgia Institute of Technology

LigandPNGBDBM104036(Alkyl Nilutamide HDACi analog 15e)copy SMILEScopy InChI
Affinity DataKi:  2.37E+3nM IC50: 3.55E+3nMAssay Description:A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CR5S01PubMed
TargetAndrogen receptor(Homo sapiens (Human))
Georgia Institute of Technology

LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)copy SMILEScopy InChI
Affinity DataKi:  2.46E+3nM IC50: 3.69E+3nMAssay Description:A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...More data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Georgia Institute of Technology

LigandPNGBDBM104035(Alkyl Nilutamide HDACi analog 15d)copy SMILEScopy InChI
Affinity DataKi:  2.60E+3nM IC50: 3.91E+3nMAssay Description:A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CR5S01PubMed
TargetAndrogen receptor(Homo sapiens (Human))
Georgia Institute of Technology

LigandPNGBDBM104034(Alkyl Nilutamide HDACi analog 15c)copy SMILEScopy InChI
Affinity DataKi:  2.68E+3nM IC50: 4.02E+3nMAssay Description:A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CR5S01PubMed
TargetAndrogen receptor(Homo sapiens (Human))
Georgia Institute of Technology

LigandPNGBDBM104032(Alkyl Nilutamide HDACi analog 15a)copy SMILEScopy InChI
Affinity DataKi:  3.96E+3nM IC50: 5.93E+3nMAssay Description:A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CR5S01PubMed
TargetAndrogen receptor(Homo sapiens (Human))
Georgia Institute of Technology

LigandPNGBDBM104033(Alkyl Nilutamide HDACi analog 15b)copy SMILEScopy InChI
Affinity DataKi:  4.48E+3nM IC50: 6.73E+3nMAssay Description:A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CR5S01PubMed
TargetHistone deacetylase 6(Homo sapiens (Human))
Georgia Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50492417(CHEMBL2401843)copy SMILEScopy InChI
Affinity DataIC50: 8nMAssay Description:Inhibition of human recombinant HDAC6 after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XP77W3PubMed
TargetHistone deacetylase 6(Homo sapiens (Human))
Georgia Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50492420(CHEMBL2401846)copy SMILEScopy InChI
Affinity DataIC50: 13nMAssay Description:Inhibition of human recombinant HDAC6 after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XP77W3PubMed
TargetHistone deacetylase 1(Homo sapiens (Human))
Georgia Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50492417(CHEMBL2401843)copy SMILEScopy InChI
Affinity DataIC50: 15nMAssay Description:Inhibition of human recombinant HDAC1 after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XP77W3PubMed
TargetHistone deacetylase 1(Homo sapiens (Human))
Georgia Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50492420(CHEMBL2401846)copy SMILEScopy InChI
Affinity DataIC50: 28nMAssay Description:Inhibition of human recombinant HDAC1 after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XP77W3PubMed
TargetHistone deacetylase 6(Homo sapiens (Human))
Georgia Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50492421(CHEMBL2401845)copy SMILEScopy InChI
Affinity DataIC50: 32nMAssay Description:Inhibition of human recombinant HDAC6 after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XP77W3PubMed
TargetHistone deacetylase 6(Homo sapiens (Human))
Georgia Institute of Technology

Curated by ChEMBL
LigandPNGBDBM19149(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)copy SMILEScopy InChI
Affinity DataIC50: 34nMAssay Description:Inhibition of human recombinant HDAC6 after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XP77W3PubMedDrugBank
TargetEstrogen receptor(Homo sapiens (Human))
Georgia Institute of Technology

Curated by ChEMBL
LigandPNGBDBM20607((2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethy...)copy SMILEScopy InChI
Affinity DataIC50: 39nMAssay Description:Antagonist activity at Gal4 DBD-fused human ERalpha LBD expressed in HEK293T cells assessed as inhibition of estradiol-induced transcriptional activa...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XP77W3PubMed
TargetHistone deacetylase 1(Homo sapiens (Human))
Georgia Institute of Technology

Curated by ChEMBL
LigandPNGBDBM19149(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)copy SMILEScopy InChI
Affinity DataIC50: 42nMAssay Description:Inhibition of human recombinant HDAC1 after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
TargetHistone deacetylase 1(Homo sapiens (Human))
Georgia Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50492421(CHEMBL2401845)copy SMILEScopy InChI
Affinity DataIC50: 75nMAssay Description:Inhibition of human recombinant HDAC1 after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XP77W3PubMed
TargetEstrogen receptor(Homo sapiens (Human))
Georgia Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50492418(CHEMBL2401849)copy SMILEScopy InChI
Affinity DataIC50: 127nMAssay Description:Antagonist activity at Gal4 DBD-fused human ERalpha LBD expressed in HEK293T cells assessed as inhibition of estradiol-induced transcriptional activa...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XP77W3PubMed
TargetHistone deacetylase 6(Homo sapiens (Human))
Georgia Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50492422(CHEMBL2401844)copy SMILEScopy InChI
Affinity DataIC50: 140nMAssay Description:Inhibition of human recombinant HDAC6 after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XP77W3PubMed
TargetHistone deacetylase 6(Homo sapiens (Human))
Georgia Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50492418(CHEMBL2401849)copy SMILEScopy InChI
Affinity DataIC50: 221nMAssay Description:Inhibition of human recombinant HDAC6 after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XP77W3PubMed
TargetEstrogen receptor(Homo sapiens (Human))
Georgia Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50492419(CHEMBL2401848)copy SMILEScopy InChI
Affinity DataIC50: 248nMAssay Description:Antagonist activity at Gal4 DBD-fused human ERalpha LBD expressed in HEK293T cells assessed as inhibition of estradiol-induced transcriptional activa...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XP77W3PubMed
TargetHistone deacetylase 1(Homo sapiens (Human))
Georgia Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50492422(CHEMBL2401844)copy SMILEScopy InChI
Affinity DataIC50: 400nMAssay Description:Inhibition of human recombinant HDAC1 after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XP77W3PubMed
TargetHistone deacetylase 8(Homo sapiens (Human))
Georgia Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50492420(CHEMBL2401846)copy SMILEScopy InChI
Affinity DataIC50: 450nMAssay Description:Inhibition of human recombinant HDAC8 after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XP77W3PubMed
TargetHistone deacetylase 1(Homo sapiens (Human))
Georgia Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50492419(CHEMBL2401848)copy SMILEScopy InChI
Affinity DataIC50: 524nMAssay Description:Inhibition of human recombinant HDAC1 after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XP77W3PubMed
TargetHistone deacetylase 6(Homo sapiens (Human))
Georgia Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50492419(CHEMBL2401848)copy SMILEScopy InChI
Affinity DataIC50: 567nMAssay Description:Inhibition of human recombinant HDAC6 after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XP77W3PubMed
TargetHistone deacetylase 6(Homo sapiens (Human))
Georgia Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50492416(CHEMBL2401847)copy SMILEScopy InChI
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of human recombinant HDAC6 after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XP77W3PubMed
TargetHistone deacetylase 1(Homo sapiens (Human))
Georgia Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50492418(CHEMBL2401849)copy SMILEScopy InChI
Affinity DataIC50: 2.70E+3nMAssay Description:Inhibition of human recombinant HDAC1 after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XP77W3PubMed
TargetHistone deacetylase 8(Homo sapiens (Human))
Georgia Institute of Technology

Curated by ChEMBL
LigandPNGBDBM19149(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)copy SMILEScopy InChI
Affinity DataIC50: 2.80E+3nMAssay Description:Inhibition of human recombinant HDAC8 after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
TargetHistone deacetylase 8(Homo sapiens (Human))
Georgia Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50492421(CHEMBL2401845)copy SMILEScopy InChI
Affinity DataIC50: 4.00E+3nMAssay Description:Inhibition of human recombinant HDAC8 after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XP77W3PubMed
TargetHistone deacetylase 8(Homo sapiens (Human))
Georgia Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50492422(CHEMBL2401844)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of human recombinant HDAC8 after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XP77W3PubMed
TargetHistone deacetylase 1(Homo sapiens (Human))
Georgia Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50492416(CHEMBL2401847)copy SMILEScopy InChI
Affinity DataIC50: 9.00E+3nMAssay Description:Inhibition of human recombinant HDAC1 after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XP77W3PubMed
TargetHistone deacetylase 8(Homo sapiens (Human))
Georgia Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50492417(CHEMBL2401843)copy SMILEScopy InChI
Affinity DataIC50: 1.10E+4nMAssay Description:Inhibition of human recombinant HDAC8 after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XP77W3PubMed
TargetHistone deacetylase 8(Homo sapiens (Human))
Georgia Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50492416(CHEMBL2401847)copy SMILEScopy InChI
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of human recombinant HDAC8 after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XP77W3PubMed