BDBM50513345 CHEMBL4438830

SMILES CN(C)CCc1cccc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1

InChI Key InChIKey=VQBICUVJQVNKBH-UHFFFAOYSA-N

Data  2 KI  26 IC50  4 EC50

PDB links: 1 PDB ID matches this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 50513345   

TargetLysine-specific demethylase 5B(Homo sapiens (Human))
Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50513345(CHEMBL4438830)
Affinity DataKi:  1nMAssay Description:Binding affinity to KDM5B (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 4A(Homo sapiens (Human))
Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50513345(CHEMBL4438830)
Affinity DataKi:  2nMAssay Description:Binding affinity to KDM4A (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetLysine-specific demethylase 4A(Homo sapiens (Human))
Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50513345(CHEMBL4438830)
Affinity DataIC50:  38nMAssay Description:Inhibition of N-terminal His-tagged recombinant human KDM4A (1 to 359 residues) expressed in Escherichia coli assessed as decrease in demethylation o...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetLysine-specific demethylase 4B(Homo sapiens (Human))
Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50513345(CHEMBL4438830)
Affinity DataIC50:  138nMAssay Description:Inhibition of full length human KDM4B assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbiotin) as subs...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 4B(Homo sapiens (Human))
Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50513345(CHEMBL4438830)
Affinity DataEC50:  3.00E+3nMAssay Description:Binding affinity to recombinant human N-terminal KDM4B (1 to 348 residues) fused upstream with E31G-R71G-K105E/ePL-tagged C-terminal transfected in H...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 4A(Homo sapiens (Human))
Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50513345(CHEMBL4438830)
Affinity DataEC50:  3.03E+4nMAssay Description:Inhibition of FLAG tagged full length wild type human KDM4A transfected in HeLa cells assessed as decrease in demethylation of H3K9Me3 measured after...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetLysine-specific demethylase 4B(Homo sapiens (Human))
Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50513345(CHEMBL4438830)
Affinity DataIC50:  36nMAssay Description:Inhibition of full length human KDM4B assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbiotin) as subs...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 4B(Homo sapiens (Human))
Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50513345(CHEMBL4438830)
Affinity DataIC50:  62nMAssay Description:Inhibition of full length human KDM4B assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbiotin) as subs...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 4B(Homo sapiens (Human))
Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50513345(CHEMBL4438830)
Affinity DataIC50:  270nMAssay Description:Inhibition of full length human KDM4B assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbiotin) as subs...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 4B(Homo sapiens (Human))
Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50513345(CHEMBL4438830)
Affinity DataIC50:  8nMAssay Description:Inhibition of full length human KDM4B assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbiotin) as subs...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 4B(Homo sapiens (Human))
Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50513345(CHEMBL4438830)
Affinity DataIC50:  6nMAssay Description:Inhibition of full length human KDM4B assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbiotin) as subs...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 4A(Homo sapiens (Human))
Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50513345(CHEMBL4438830)
Affinity DataIC50:  4.29E+3nMAssay Description:Inhibition of full length human KDM4A A482E mutant assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetLysine-specific demethylase 4A(Homo sapiens (Human))
Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50513345(CHEMBL4438830)
Affinity DataIC50:  1.84E+3nMAssay Description:Inhibition of full length human KDM4A A482E mutant assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetLysine-specific demethylase 4A(Homo sapiens (Human))
Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50513345(CHEMBL4438830)
Affinity DataIC50:  204nMAssay Description:Inhibition of full length human KDM4A A482E mutant assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetLysine-specific demethylase 4A(Homo sapiens (Human))
Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50513345(CHEMBL4438830)
Affinity DataIC50:  39nMAssay Description:Inhibition of full length human KDM4A A482E mutant assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetLysine-specific demethylase 4A(Homo sapiens (Human))
Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50513345(CHEMBL4438830)
Affinity DataIC50:  25nMAssay Description:Inhibition of full length human KDM4A A482E mutant assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetLysine-specific demethylase 4A(Homo sapiens (Human))
Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50513345(CHEMBL4438830)
Affinity DataIC50:  13nMAssay Description:Inhibition of full length human KDM4A A482E mutant assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetLysine-specific demethylase 4B(Homo sapiens (Human))
Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50513345(CHEMBL4438830)
Affinity DataIC50:  8nMAssay Description:Inhibition of N-terminal GST-tagged recombinant human KDM4B (1 to 500 residues) expressed in baculovirus infected Sf9 insect cells assessed as decrea...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 5B(Homo sapiens (Human))
Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50513345(CHEMBL4438830)
Affinity DataIC50:  6nMAssay Description:Inhibition of KDM5B (unknown origin) assessed as decrease in demethylation of substrate using peptide (H3(1-21)K4-Me3-GGKBiotin) as substrate and 2OG...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 4A(Homo sapiens (Human))
Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50513345(CHEMBL4438830)
Affinity DataIC50:  108nMAssay Description:Inhibition of full length human KDM4A A482E mutant assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetLysine-specific demethylase 4B(Homo sapiens (Human))
Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50513345(CHEMBL4438830)
Affinity DataIC50:  4nMAssay Description:Inhibition of full length human KDM4B assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbiotin) as subs...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 4A(Homo sapiens (Human))
Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50513345(CHEMBL4438830)
Affinity DataIC50:  346nMAssay Description:Inhibition of full length human KDM4A A482E mutant assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetLysine-specific demethylase 4A(Homo sapiens (Human))
Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50513345(CHEMBL4438830)
Affinity DataIC50:  17nMAssay Description:Inhibition of full length human KDM4A A482E mutant assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetLysine-specific demethylase 5C(Homo sapiens (Human))
Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50513345(CHEMBL4438830)
Affinity DataIC50:  14nMAssay Description:Inhibition of KDM5C (unknown origin) assessed as decrease in demethylation of substrate using peptide (H3(1-21)K4-Me3-GGKBiotin) as substrate and 2OG...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 4B(Homo sapiens (Human))
Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50513345(CHEMBL4438830)
Affinity DataIC50:  12nMAssay Description:Inhibition of full length human KDM4B assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbiotin) as subs...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 4A(Homo sapiens (Human))
Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50513345(CHEMBL4438830)
Affinity DataIC50:  60nMAssay Description:Inhibition of full length human KDM4A A482E mutant assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetLysine-specific demethylase 4B(Homo sapiens (Human))
Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50513345(CHEMBL4438830)
Affinity DataIC50:  1.04E+3nMAssay Description:Inhibition of full length human KDM4B assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbiotin) as subs...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 4B(Homo sapiens (Human))
Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50513345(CHEMBL4438830)
Affinity DataIC50:  568nMAssay Description:Inhibition of full length human KDM4B assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbiotin) as subs...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 5B(Homo sapiens (Human))
Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50513345(CHEMBL4438830)
Affinity DataEC50:  3.77E+3nMAssay Description:Inhibition of full length human wild type KDM5B transfected in HeLa cells assessed as decrease in demethylation of H3K4Me3 measured after 24 hrs by c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 4B(Homo sapiens (Human))
Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50513345(CHEMBL4438830)
Affinity DataIC50:  21nMAssay Description:Inhibition of full length human KDM4B assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbiotin) as subs...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 4A(Homo sapiens (Human))
Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50513345(CHEMBL4438830)
Affinity DataIC50:  758nMAssay Description:Inhibition of full length human KDM4A A482E mutant assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetLysine-specific demethylase 5B(Homo sapiens (Human))
Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50513345(CHEMBL4438830)
Affinity DataEC50:  1.40E+3nMAssay Description:Binding affinity to recombinant human N-terminal KDM5B (26 to 772 residues) fused with ePL-tagged C-terminal transfected in HEK293T cells measured af...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed