BDBM191598 2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-oxoethyl)amino)methyl)isonicotinic acid (KDM5-C49)::KDM5-C49::KDOAM-20

SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(O)=O

InChI Key InChIKey=RGGMVQDDHDCRDM-UHFFFAOYSA-N

Data  45 IC50  2 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 47 hits for monomerid = 191598   

TargetLysine-specific demethylase 5A [1-739](Homo sapiens (Human))
Emory University

LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50:  4.80E+3nMT: 2°CAssay Description:For inhibition assays, powders of inhibitor compounds were dissolved in 100% (v/v) DMSO to give a 20 or 50 mM concentration and stored at -20 °C unti...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 6B(Homo sapiens (Human))TBA
LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50:  1.40E+3nMAssay Description:Inhibition of KDM6B (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetLysine-specific demethylase 5C [1-789](Homo sapiens (Human))
Emory University

LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50:  1.50E+4nMT: 2°CAssay Description:For inhibition assays, powders of inhibitor compounds were dissolved in 100% (v/v) DMSO to give a 20 or 50 mM concentration and stored at -20 °C unti...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 5D [1-760](Homo sapiens (Human))
Emory University

LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50:  1.40E+4nMT: 2°CAssay Description:For inhibition assays, powders of inhibitor compounds were dissolved in 100% (v/v) DMSO to give a 20 or 50 mM concentration and stored at -20 °C unti...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 5A [1-588](Homo sapiens (Human))
Emory University

LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataKd:  52nMAssay Description:ITC experiments were carried out at an enzyme [E] concentration of 25-50 μM with 0.25-1 mM compound [I] concentration in the KDM5 storage buffer...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 5B [1-604](Homo sapiens (Human))
Emory University

LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataKd:  80nMAssay Description:ITC experiments were carried out at an enzyme [E] concentration of 25-50 μM with 0.25-1 mM compound [I] concentration in the KDM5 storage buffer...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 5A [1-1090](Homo sapiens (Human))
Emory University

LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50:  25nMpH: 7.2 T: 2°CAssay Description:Reactions were performed in 50 mM HEPES [pH 7.2 for KDM5 or pH 7.5 for KDM4A(1-350)] containing 0.01% BSA and 0.01% Tween-20. To each well, 3 μL...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 5B(Homo sapiens (Human))
Emory University

LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50:  30nMpH: 7.2 T: 2°CAssay Description:Reactions were performed in 50 mM HEPES [pH 7.2 for KDM5 or pH 7.5 for KDM4A(1-350)] containing 0.01% BSA and 0.01% Tween-20. To each well, 3 μL...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 5A [1-1090](Homo sapiens (Human))
Emory University

LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50:  40nMAssay Description:Demethylase reactions and AlphaScreen assays were performed as described (Sayegh et al., 2013), with a few exceptions. All demethylase buffers contai...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 5B(Homo sapiens (Human))
Emory University

LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50:  160nMAssay Description:Demethylase reactions and AlphaScreen assays were performed as described (Sayegh et al., 2013), with a few exceptions. All demethylase buffers contai...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 5C(Homo sapiens (Human))
Emory University

LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50:  100nMAssay Description:Demethylase reactions and AlphaScreen assays were performed as described (Sayegh et al., 2013), with a few exceptions. All demethylase buffers contai...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 5C(Homo sapiens (Human))
Emory University

LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50:  59nMpH: 7.2 T: 2°CAssay Description:Reactions were performed in 50 mM HEPES [pH 7.2 for KDM5 or pH 7.5 for KDM4A(1-350)] containing 0.01% BSA and 0.01% Tween-20. To each well, 3 μL...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 5A [1-801](Homo sapiens (Human))
University of Oxford

LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50:  7nMpH: 7.5Assay Description:The demethylase AlphaScreen assay was performed in 384-well plate format using white proxiplates (PerkinElmer), and transfer of compound (100 nl) was...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 5B(Homo sapiens (Human))
Emory University

LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50:  4nMpH: 7.5Assay Description:The demethylase AlphaScreen assay was performed in 384-well plate format using white proxiplates (PerkinElmer), and transfer of compound (100 nl) was...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 5C [1-765](Homo sapiens (Human))
University of Oxford

LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50:  13nMpH: 7.5Assay Description:The demethylase AlphaScreen assay was performed in 384-well plate format using white proxiplates (PerkinElmer), and transfer of compound (100 nl) was...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 5D [1-775](Homo sapiens (Human))
University of Oxford

LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50:  15nMpH: 7.5Assay Description:The demethylase AlphaScreen assay was performed in 384-well plate format using white proxiplates (PerkinElmer), and transfer of compound (100 nl) was...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 4C(Homo sapiens (Human))
University of Oxford

LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50:  210nMpH: 7.5Assay Description:The demethylase AlphaScreen assay was performed in 384-well plate format using white proxiplates (PerkinElmer), and transfer of compound (100 nl) was...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 6B(Homo sapiens (Human))TBA
LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50:  1.40E+3nMpH: 7.5Assay Description:The demethylase AlphaScreen assay was performed in 384-well plate format using white proxiplates (PerkinElmer), and transfer of compound (100 nl) was...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 3A(Homo sapiens (Human))
University of Oxford

LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50:  780nMpH: 7.5Assay Description:The demethylase AlphaScreen assay was performed in 384-well plate format using white proxiplates (PerkinElmer), and transfer of compound (100 nl) was...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 2A(Homo sapiens (Human))
University of Oxford

LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50:  2.20E+3nMpH: 7.5Assay Description:The demethylase AlphaScreen assay was performed in 384-well plate format using white proxiplates (PerkinElmer), and transfer of compound (100 nl) was...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 5B(Homo sapiens (Human))
Emory University

LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50:  7nMAssay Description:We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 4C(Homo sapiens (Human))
University of Oxford

LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50:  170nMAssay Description:We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
University of Oxford

LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50:  10nMAssay Description:We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 5B(Homo sapiens (Human))
Emory University

LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50:  6nMAssay Description:We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 5C(Homo sapiens (Human))
Emory University

LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50:  20nMAssay Description:We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 5D(Homo sapiens (Human))
University of Oxford

LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50:  20nMAssay Description:We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 3A(Homo sapiens (Human))
University of Oxford

LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50:  1.00E+3nMAssay Description:We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 4A(Homo sapiens (Human))
University of Oxford

LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50:  600nMAssay Description:We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 4C(Homo sapiens (Human))
University of Oxford

LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50:  200nMAssay Description:We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 6B(Homo sapiens (Human))TBA
LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50:  1.00E+3nMAssay Description:We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 2A(Homo sapiens (Human))
University of Oxford

LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50:  2.00E+3nMAssay Description:We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 2B(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50:  100nMAssay Description:Inhibition of recombinant human C-terminal FLAG-tagged KDM2B (1 to 650 residues) expressed in baculovirus infected sf9 cells using biotin-H3K36me2 as...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 3B(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50: >1.00E+3nMAssay Description:Inhibition of recombinant KDM3B (842 to 1761 residues) (unknown origin) expressed in baculovirus infected sf9 cells using biotin-H3K9me as substrate ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 4A(Homo sapiens (Human))
University of Oxford

LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50: <100nMAssay Description:Inhibition of recombinant human N-terminal His-tagged KDM4A (1 to 350 residues) expressed in Escherichia coli using methylated biotin-H3K9 substrate ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 4C(Homo sapiens (Human))
University of Oxford

LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50: <100nMAssay Description:Inhibition of KDM4C (1 to 349 residues) (unknown origin) expressed in Escherichia coli using biotinylated histone H3 as substrate preincubated for 10...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 5B(Homo sapiens (Human))
Emory University

LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50: <100nMAssay Description:Inhibition of KDM5B (1 to 809 residues) (unknown origin) expressed in Escherichia coli using biotin-H3K4me3 as substrate preincubated for 10 mins fol...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 5C(Homo sapiens (Human))
Emory University

LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50: <100nMAssay Description:Inhibition of recombinant human N-terminal FLAG-tagged KDM5C (2 to 1560 residues) expressed in baculovirus infected sf9 cells using biotin-H3K4me3 as...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 6A(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50: >1.00E+3nMAssay Description:Inhibition of KDM6A (919 to 1401 residues) (unknown origin) expressed in Escherichia coli using biotinylated histone H3 as substrate preincubated for...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 6B(Homo sapiens (Human))TBA
LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50: >1.00E+3nMAssay Description:Inhibition of human C-terminal FLAG-tagged KDM6B (1043 residues) expressed in baculovirus infected sf9 cells using H3K27me3 as substrate preincubated...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 5C(Homo sapiens (Human))
Emory University

LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50:  1.00E+3nMAssay Description:Inhibition of KDM5C in human U2OS cells assessed as reduction in demethylation of H3K4me3 after 20 hrs by Hoechst 33342 staining based immunofluoresc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 5B(Homo sapiens (Human))
Emory University

LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50:  1.00E+3nMAssay Description:Inhibition of KDM5B in human U2OS cells assessed as reduction in demethylation of H3K4me3 after 20 hrs by Hoechst 33342 staining based immunofluoresc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 4B(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50: <100nMAssay Description:Inhibition of human N-terminal GST-tagged KDM4B (1 to 500 residues) expressed in baculovirus infected sf9 cells using biotinylated histone H3 as subs...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 5B(Homo sapiens (Human))
Emory University

LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50:  30nMAssay Description:Inhibition of N-terminal his6-tagged human KDM5B (1 to 769 residues) expressed in sf9 insect cells incubated for 20 mins by Alphascreen assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
University of Oxford

LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50:  25nMAssay Description:Inhibition of N-terminal his6-tagged human KDM5A (1 to 797 residues) expressed in sf9 insect cells incubated for 20 mins by Alphascreen assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetLysine-specific demethylase 5C(Homo sapiens (Human))
Emory University

LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50:  59nMAssay Description:Inhibition of N-terminal his6-tagged human KDM5C (1 to 839 residues) expressed in sf9 insect cells incubated for 20 mins by Alphascreen assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetLysine-specific demethylase 5B(Homo sapiens (Human))
Emory University

LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50:  4nMAssay Description:Inhibition of KDM5B (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetLysine-specific demethylase 5B [1-755](Homo sapiens (Human))
Emory University

LigandPNGBDBM191598(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Affinity DataIC50:  2.10E+3nMT: 2°CAssay Description:For inhibition assays, powders of inhibitor compounds were dissolved in 100% (v/v) DMSO to give a 20 or 50 mM concentration and stored at -20 °C unti...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed