Compile Data Set for Download or QSAR
Found 41 with Last Name = 'upadhyay' and Initial = 'ak'
TargetN-lysine methyltransferase KMT5A(Homo sapiens (Human))
AbbVie Inc.

Curated by ChEMBL
LigandPNGBDBM50201571(CHEMBL3934996)copy SMILEScopy InChI
Affinity DataKi:  50nMAssay Description:Competitive inhibition of human SETD8 (186 to 352 residues) using biotin-labeled H4K20 (1 to 24 residues) as substrate after 1 hr in presence of 3H-S...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2319XVPPubMed
TargetN-lysine methyltransferase KMT5A(Homo sapiens (Human))
AbbVie Inc.

Curated by ChEMBL
LigandPNGBDBM50051116(CHEMBL3318284)copy SMILEScopy InChI
Affinity DataKi:  2.00E+3nMAssay Description:Competitive inhibition of SETD8 (unknown origin) using biotin-labeled H4 (1 to 24 residues) as substrate after 1 hr in presence of varying levels of ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2319XVPPubMed
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Emory University

LigandPNGBDBM92963(ParSL)copy SMILEScopy InChI
Affinity DataKi:  2.20E+4nMAssay Description:Competitive inhibition assay using human and rat MAOs.More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24M934HPubMed
TargetAmine oxidase [flavin-containing] B(Rattus norvegicus (rat))
Emory University

LigandPNGBDBM92963(ParSL)copy SMILEScopy InChI
Affinity DataKi:  1.07E+5nMAssay Description:Competitive inhibition assay using human and rat MAOs.More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24M934HPubMed
TargetAmine oxidase [flavin-containing] A(Rattus norvegicus (rat))
Emory University

LigandPNGBDBM92963(ParSL)copy SMILEScopy InChI
Affinity DataKi:  1.51E+5nMAssay Description:Competitive inhibition assay using human and rat MAOs.More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24M934HPubMed
TargetLysine-specific demethylase 4A(Homo sapiens (Human))
AbbVie Inc.

Curated by ChEMBL
LigandPNGBDBM50457513(CHEMBL4212908)copy SMILEScopy InChI
Affinity DataKi:  1.70E+5nMAssay Description:Inhibition of H3(1-10)K4me3 peptide binding to thrombin cleavable N-terminal 6His tagged and 13C-IVLM labeled human KDM4A tandem TUDOR domain (897 to...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WM1H1XPubMed
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
Emory University

LigandPNGBDBM92963(ParSL)copy SMILEScopy InChI
Affinity DataKi:  2.12E+5nMAssay Description:Competitive inhibition assay using human and rat MAOs.More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24M934HPubMed
TargetHistone-lysine N-methyltransferase KMT5B(Homo sapiens (Human))
AbbVie

LigandPNGBDBM223981(6,7-Dichloro-N-cyclopentyl-4-(pyridin-4-yl)phthala...)copy SMILEScopy InChI
Affinity DataIC50: 25nMpH: 8.0 T: 2°CAssay Description:Experiments were performed in triplicate at room temperature with 1 h incubation of 10 μl reaction mixture in buffer of 20 mM Tris-HCl, pH 8.0, ...More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50506590(CHEMBL4593992)copy SMILEScopy InChI
Affinity DataIC50: 41nMAssay Description:Inhibition of C-terminal 8-His tagged wild type human IDH1 (1 to 414 residues) expressed in Escherichia coli BL21(DE3)-T1R preincubated for 15 mins u...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RJ4NR6PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50506594(CHEMBL4556998)copy SMILEScopy InChI
Affinity DataIC50: 82nMAssay Description:Inhibition of C-terminal 8-His tagged wild type human IDH1 (1 to 414 residues) expressed in Escherichia coli BL21(DE3)-T1R preincubated for 15 mins u...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RJ4NR6PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50506592(CHEMBL4535154)copy SMILEScopy InChI
Affinity DataIC50: 110nMAssay Description:Inhibition of C-terminal 8-His tagged wild type human IDH1 (1 to 414 residues) expressed in Escherichia coli BL21(DE3)-T1R preincubated for 15 mins u...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RJ4NR6PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50506585(CHEMBL4515358)copy SMILEScopy InChI
Affinity DataIC50: 120nMAssay Description:Inhibition of C-terminal 8-His tagged wild type human IDH1 (1 to 414 residues) expressed in Escherichia coli BL21(DE3)-T1R preincubated for 15 mins u...More data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase KMT5C(Homo sapiens (Human))
AbbVie

LigandPNGBDBM223981(6,7-Dichloro-N-cyclopentyl-4-(pyridin-4-yl)phthala...)copy SMILEScopy InChI
Affinity DataIC50: 144nMpH: 8.0 T: 2°CAssay Description:Experiments were performed in triplicate at room temperature with 1 h incubation of 10 μl reaction mixture in buffer of 20 mM Tris-HCl, pH 8.0, ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2X065XFPubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50506593(CHEMBL4540440)copy SMILEScopy InChI
Affinity DataIC50: 210nMAssay Description:Inhibition of C-terminal 8-His tagged wild type human IDH1 (1 to 414 residues) expressed in Escherichia coli BL21(DE3)-T1R preincubated for 15 mins u...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RJ4NR6PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50506584(CHEMBL221360)copy SMILEScopy InChI
Affinity DataIC50: 270nMAssay Description:Inhibition of C-terminal 8-His tagged wild type human IDH1 (1 to 414 residues) expressed in Escherichia coli BL21(DE3)-T1R preincubated for 15 mins u...More data for this Ligand-Target Pair
TargetN-lysine methyltransferase KMT5A(Homo sapiens (Human))
AbbVie Inc.

Curated by ChEMBL
LigandPNGBDBM50201571(CHEMBL3934996)copy SMILEScopy InChI
Affinity DataIC50: 330nMAssay Description:Inhibition of human SETD8 (186 to 352 residues) using biotin-labeled H4K20 (1 to 24 residues) as substrate after 1 hr in presence of 3H-SAM by scinti...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2319XVPPubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50506591(CHEMBL4548727)copy SMILEScopy InChI
Affinity DataIC50: 410nMAssay Description:Inhibition of C-terminal 8-His tagged wild type human IDH1 (1 to 414 residues) expressed in Escherichia coli BL21(DE3)-T1R preincubated for 15 mins u...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RJ4NR6PubMed
TargetHistone-lysine N-methyltransferase KMT5B(Homo sapiens (Human))
AbbVie

LigandPNGBDBM223980(6,7-Dichloro-N-cyclopentylquinolin-4-amine (2))copy SMILEScopy InChI
Affinity DataIC50: 590nMpH: 8.0 T: 2°CAssay Description:Experiments were performed in triplicate at room temperature with 1 h incubation of 10 μl reaction mixture in buffer of 20 mM Tris-HCl, pH 8.0, ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2X065XFPubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM195601(GSK321 | US11311527, Cpd ID GSK321 | US11376246, C...)copy SMILES
Affinity DataIC50: 970nMAssay Description:Inhibition of C-terminal 8-His tagged wild type human IDH1 (1 to 414 residues) expressed in Escherichia coli BL21(DE3)-T1R preincubated for 15 mins u...More data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase KMT5C(Homo sapiens (Human))
AbbVie

LigandPNGBDBM223980(6,7-Dichloro-N-cyclopentylquinolin-4-amine (2))copy SMILEScopy InChI
Affinity DataIC50: 1.20E+3nMpH: 8.0 T: 2°CAssay Description:Experiments were performed in triplicate at room temperature with 1 h incubation of 10 μl reaction mixture in buffer of 20 mM Tris-HCl, pH 8.0, ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2X065XFPubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50506589(CHEMBL4549554)copy SMILEScopy InChI
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of C-terminal 8-His tagged wild type human IDH1 (1 to 414 residues) expressed in Escherichia coli BL21(DE3)-T1R preincubated for 15 mins u...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RJ4NR6PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50506587(CHEMBL4551778)copy SMILEScopy InChI
Affinity DataIC50: 1.77E+3nMAssay Description:Inhibition of C-terminal 8-His tagged wild type human IDH1 (1 to 414 residues) expressed in Escherichia coli BL21(DE3)-T1R preincubated for 15 mins u...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetHistone-lysine N-methyltransferase KMT5C(Homo sapiens (Human))
AbbVie

LigandPNGBDBM223979(7-Chloro-N-cyclopentylquinolin-4-amine (1))copy SMILEScopy InChI
Affinity DataIC50: 4.80E+3nMpH: 8.0 T: 2°CAssay Description:Experiments were performed in triplicate at room temperature with 1 h incubation of 10 μl reaction mixture in buffer of 20 mM Tris-HCl, pH 8.0, ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2X065XFPubMed
TargetHistone-lysine N-methyltransferase KMT5B(Homo sapiens (Human))
AbbVie

LigandPNGBDBM223979(7-Chloro-N-cyclopentylquinolin-4-amine (1))copy SMILEScopy InChI
Affinity DataIC50: 5.90E+3nMpH: 8.0 T: 2°CAssay Description:Experiments were performed in triplicate at room temperature with 1 h incubation of 10 μl reaction mixture in buffer of 20 mM Tris-HCl, pH 8.0, ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2X065XFPubMed
TargetN-lysine methyltransferase KMT5A(Homo sapiens (Human))
AbbVie Inc.

Curated by ChEMBL
LigandPNGBDBM50051116(CHEMBL3318284)copy SMILEScopy InChI
Affinity DataIC50: 6.50E+3nMAssay Description:Inhibition of SETD8 (unknown origin) using biotin-labeled H4 (1 to 24 residues) as substrate after 1 hr in presence of [3H]SAM by scintillation proxi...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2319XVPPubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50506586(CHEMBL4459125)copy SMILEScopy InChI
Affinity DataIC50: 8.00E+3nMAssay Description:Inhibition of C-terminal 8-His tagged wild type human IDH1 (1 to 414 residues) expressed in Escherichia coli BL21(DE3)-T1R preincubated for 15 mins u...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RJ4NR6PubMed
TargetHistone-lysine N-methyltransferase KMT5C(Homo sapiens (Human))
AbbVie

LigandPNGBDBM223982((6,7-Dichloro-4-(cyclopentylamino)phthalazin-1-yl)...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMpH: 8.0 T: 2°CAssay Description:Experiments were performed in triplicate at room temperature with 1 h incubation of 10 μl reaction mixture in buffer of 20 mM Tris-HCl, pH 8.0, ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2X065XFPubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50506588(CHEMBL4467995)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of C-terminal 8-His tagged wild type human IDH1 (1 to 414 residues) expressed in Escherichia coli BL21(DE3)-T1R preincubated for 15 mins u...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RJ4NR6PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50506583(CHEMBL4562890)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of C-terminal 8-His tagged wild type human IDH1 (1 to 414 residues) expressed in Escherichia coli BL21(DE3)-T1R preincubated for 15 mins u...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RJ4NR6PubMed
TargetHistone-lysine N-methyltransferase KMT5B(Homo sapiens (Human))
AbbVie

LigandPNGBDBM223982((6,7-Dichloro-4-(cyclopentylamino)phthalazin-1-yl)...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMpH: 8.0 T: 2°CAssay Description:Experiments were performed in triplicate at room temperature with 1 h incubation of 10 μl reaction mixture in buffer of 20 mM Tris-HCl, pH 8.0, ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2X065XFPubMed
TargetLysine-specific demethylase 4A(Homo sapiens (Human))
AbbVie Inc.

Curated by ChEMBL
LigandPNGBDBM50457514(CHEMBL4204908)copy SMILEScopy InChI
Affinity DataEC50:  1.22E+6nMAssay Description:Inhibition of NanoLuc-KDM4A-TUDOR domain (unknown origin) binding to Histone H3.3-HaloTag expressed in 293T cells incubated for 18 hrs by Nano-BRET b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WM1H1XPubMed
TargetLysine-specific demethylase 4A(Homo sapiens (Human))
AbbVie Inc.

Curated by ChEMBL
LigandPNGBDBM50457513(CHEMBL4212908)copy SMILEScopy InChI
Affinity DataKd:  1.55E+4nMAssay Description:Binding affinity to thrombin cleavable N-terminal 6His tagged and 13C-IVLM labeled human KDM4A tandem TUDOR domain (897 to 1011 residues) expressed i...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WM1H1XPubMed
TargetLysine-specific demethylase 4C(Homo sapiens (Human))
AbbVie Inc.

Curated by ChEMBL
LigandPNGBDBM50457513(CHEMBL4212908)copy SMILEScopy InChI
Affinity DataKd:  1.29E+5nMAssay Description:Binding affinity to 6His-tagged and human KDM4C tandem TUDOR domain (874 to 990 residues) expressed in Escherichia coli BL21(DE3)-T1R by ITC methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WM1H1XPubMed
TargetLysine-specific demethylase 4A(Homo sapiens (Human))
AbbVie Inc.

Curated by ChEMBL
LigandPNGBDBM50457513(CHEMBL4212908)copy SMILEScopy InChI
Affinity DataKd:  2.27E+4nMAssay Description:Binding affinity to thrombin cleavable N-terminal 6His tagged and 13C-IVLM labeled human KDM4A tandem TUDOR domain (897 to 1011 residues) expressed i...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WM1H1XPubMed
TargetLysine-specific demethylase 4A(Homo sapiens (Human))
AbbVie Inc.

Curated by ChEMBL
LigandPNGBDBM50457513(CHEMBL4212908)copy SMILEScopy InChI
Affinity DataKd:  5.51E+4nMAssay Description:Binding affinity to thrombin cleavable N-terminal 6His tagged and 13C-IVLM labeled human KDM4A tandem TUDOR domain (897 to 1011 residues) expressed i...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WM1H1XPubMed
TargetLysine-specific demethylase 4A(Homo sapiens (Human))
AbbVie Inc.

Curated by ChEMBL
LigandPNGBDBM50457515(CHEMBL4208006)copy SMILEScopy InChI
Affinity DataKd:  3.00E+3nMAssay Description:Binding affinity to thrombin cleavable N-terminal 6His tagged and 13C-IVLM labeled human KDM4A tandem TUDOR domain (897 to 1011 residues) expressed i...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WM1H1XPubMed
TargetLysine-specific demethylase 4A(Homo sapiens (Human))
AbbVie Inc.

Curated by ChEMBL
LigandPNGBDBM50457516(CHEMBL4214213)copy SMILEScopy InChI
Affinity DataKd:  4.70E+3nMAssay Description:Binding affinity to thrombin cleavable N-terminal 6His tagged and 13C-IVLM labeled human KDM4A tandem TUDOR domain (897 to 1011 residues) expressed i...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WM1H1XPubMed
TargetLysine-specific demethylase 4B(Homo sapiens (Human))
AbbVie Inc.

Curated by ChEMBL
LigandPNGBDBM50457513(CHEMBL4212908)copy SMILEScopy InChI
Affinity DataKd:  1.27E+5nMAssay Description:Binding affinity to 6His-tagged and human KDM4B tandem TUDOR domain (916 to 1030 residues) expressed in Escherichia coli BL21(DE3)-T1R by ITC methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WM1H1XPubMed
TargetLysine-specific demethylase 4A(Homo sapiens (Human))
AbbVie Inc.

Curated by ChEMBL
LigandPNGBDBM50457517(CHEMBL4208145)copy SMILEScopy InChI
Affinity DataKd:  8.00E+4nMAssay Description:Binding affinity to thrombin cleavable N-terminal 6His-tagged and 13C-IVLM labeled human KDM4A tandem TUDOR domain (897 to 1011 residues) expressed i...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetLysine-specific demethylase 4A(Homo sapiens (Human))
AbbVie Inc.

Curated by ChEMBL
LigandPNGBDBM50457513(CHEMBL4212908)copy SMILEScopy InChI
Affinity DataEC50:  1.05E+5nMAssay Description:Inhibition of NanoLuc-KDM4A-TUDOR domain (unknown origin) binding to Histone H3.3-HaloTag expressed in 293T cells incubated for 18 hrs by Nano-BRET b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WM1H1XPubMed
TargetLysine-specific demethylase 4A(Homo sapiens (Human))
AbbVie Inc.

Curated by ChEMBL
LigandPNGBDBM50457513(CHEMBL4212908)copy SMILEScopy InChI
Affinity DataKd:  8.17E+4nMAssay Description:Binding affinity to thrombin cleavable N-terminal 6His tagged and 13C-IVLM labeled human KDM4A tandem TUDOR domain (897 to 1011 residues) expressed i...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WM1H1XPubMed