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Compile Data Set for Download or QSAR

Found 150 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific demethylase 4D'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM50153322
PNG
(CHEMBL3775612)
Show SMILES OC(=O)c1ccncc1NCc1ccccc1
Show InChI InChI=1S/C13H12N2O2/c16-13(17)11-6-7-14-9-12(11)15-8-10-4-2-1-3-5-10/h1-7,9,15H,8H2,(H,16,17)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of KDM4E (unknown origin) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectrometric analys...


J Med Chem 59: 1357-69 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01537
BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM50153318
PNG
(CHEMBL3775237)
Show SMILES OC(=O)c1ccncc1NCc1ccco1
Show InChI InChI=1S/C11H10N2O3/c14-11(15)9-3-4-12-7-10(9)13-6-8-2-1-5-16-8/h1-5,7,13H,6H2,(H,14,15)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of KDM4E (unknown origin) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectrometric analys...


J Med Chem 59: 1357-69 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01537
BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM50153319
PNG
(CHEMBL3775889)
Show SMILES Cc1ccsc1CNc1cnccc1C(O)=O
Show InChI InChI=1S/C12H12N2O2S/c1-8-3-5-17-11(8)7-14-10-6-13-4-2-9(10)12(15)16/h2-6,14H,7H2,1H3,(H,15,16)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of KDM4E (unknown origin) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectrometric analys...


J Med Chem 59: 1357-69 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01537
BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50153322
PNG
(CHEMBL3775612)
Show SMILES OC(=O)c1ccncc1NCc1ccccc1
Show InChI InChI=1S/C13H12N2O2/c16-13(17)11-6-7-14-9-12(11)15-8-10-4-2-1-3-5-10/h1-7,9,15H,8H2,(H,16,17)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human KDM4D (11 to 341 residues) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectromet...


J Med Chem 59: 1357-69 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01537
BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50153319
PNG
(CHEMBL3775889)
Show SMILES Cc1ccsc1CNc1cnccc1C(O)=O
Show InChI InChI=1S/C12H12N2O2S/c1-8-3-5-17-11(8)7-14-10-6-13-4-2-9(10)12(15)16/h2-6,14H,7H2,1H3,(H,15,16)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human KDM4D (11 to 341 residues) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectromet...


J Med Chem 59: 1357-69 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01537
BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50153318
PNG
(CHEMBL3775237)
Show SMILES OC(=O)c1ccncc1NCc1ccco1
Show InChI InChI=1S/C11H10N2O3/c14-11(15)9-3-4-12-7-10(9)13-6-8-2-1-5-16-8/h1-5,7,13H,6H2,(H,14,15)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human KDM4D (11 to 341 residues) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectromet...


J Med Chem 59: 1357-69 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01537
BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM293660
PNG
(3-({[(1S)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahyd...)
Show SMILES CN(c1ccccc1)c1ccc2[C@H](CNc3cnccc3C(O)=O)CCCc2c1
Show InChI InChI=1/C24H25N3O2/c1-27(19-8-3-2-4-9-19)20-10-11-21-17(14-20)6-5-7-18(21)15-26-23-16-25-13-12-22(23)24(28)29/h2-4,8-14,16,18,26H,5-7,15H2,1H3,(H,28,29)/t18-/s2
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Celgene Quanticel Research

Curated by ChEMBL


Assay Description
Inhibition of KDM4D (unknown origin) using biotinylated H3K9me3 peptide and alpha-ketoglutarate as substrate pretreated for 1 hr followed by substrat...


ACS Med Chem Lett 8: 869-874 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM191600
PNG
(2-(5-((4-chloro-2-methylbenzyl)oxy)-1Hpyrazol-1-yl...)
Show SMILES Cc1cc(Cl)ccc1COc1ccnn1-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C17H14ClN3O3/c1-11-8-14(18)3-2-13(11)10-24-16-5-7-20-21(16)15-9-12(17(22)23)4-6-19-15/h2-9H,10H2,1H3,(H,22,23)
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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of KDM4D (unknown origin)


Bioorg Med Chem Lett 28: 1490-1494 (2018)

More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM50396019
PNG
(4'-(phenethylcarbamoyl)-[2,2'-bipyridine]-...)
Show SMILES OC(=O)c1ccnc(c1)-c1cc(ccn1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C20H17N3O3/c24-19(23-9-6-14-4-2-1-3-5-14)15-7-10-21-17(12-15)18-13-16(20(25)26)8-11-22-18/h1-5,7-8,10-13H,6,9H2,(H,23,24)(H,25,26)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of JMJD2E catalytic domain by mass spectrophotometric analysis


Eur J Med Chem 56: 179-194 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.010
BindingDB Entry DOI: 10.7270/Q2TQ62NX
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM50149925
PNG
(CHEMBL3770740)
Show SMILES Oc1cc(Oc2nc3cnccc3c(=O)[nH]2)ccc1Cl
Show InChI InChI=1S/C13H8ClN3O3/c14-9-2-1-7(5-11(9)18)20-13-16-10-6-15-4-3-8(10)12(19)17-13/h1-6,18H,(H,16,17,19)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of KDM4E (unknown origin) by RFMS assay


J Med Chem 59: 1370-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01538
BindingDB Entry DOI: 10.7270/Q26D5VV2
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM191600
PNG
(2-(5-((4-chloro-2-methylbenzyl)oxy)-1Hpyrazol-1-yl...)
Show SMILES Cc1cc(Cl)ccc1COc1ccnn1-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C17H14ClN3O3/c1-11-8-14(18)3-2-13(11)10-24-16-5-7-20-21(16)15-9-12(17(22)23)4-6-19-15/h2-9H,10H2,1H3,(H,22,23)
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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of KDM4E (unknown origin)


Bioorg Med Chem Lett 28: 1490-1494 (2018)

More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM50396020
PNG
(CHEMBL1615036)
Show SMILES NCCNC(=O)c1ccnc(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C14H14N4O3/c15-3-6-18-13(19)9-1-4-16-11(7-9)12-8-10(14(20)21)2-5-17-12/h1-2,4-5,7-8H,3,6,15H2,(H,18,19)(H,20,21)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of JMJD2E catalytic domain by mass spectrophotometric analysis


Eur J Med Chem 56: 179-194 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.010
BindingDB Entry DOI: 10.7270/Q2TQ62NX
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM50395083
PNG
(CHEMBL2164246)
Show SMILES NNC(=O)CCC(O)=O
Show InChI InChI=1S/C4H8N2O3/c5-6-3(7)1-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)
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University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM4E expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50153339
PNG
(CHEMBL3775431)
Show SMILES OC(=O)c1ccncc1NC(=O)Cc1ccccc1
Show InChI InChI=1S/C14H12N2O3/c17-13(8-10-4-2-1-3-5-10)16-12-9-15-7-6-11(12)14(18)19/h1-7,9H,8H2,(H,16,17)(H,18,19)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human KDM4D (11 to 341 residues) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectromet...


J Med Chem 59: 1357-69 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01537
BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM50396018
PNG
(CHEMBL1230640)
Show SMILES OC(=O)c1ccc(O)c2ncccc12
Show InChI InChI=1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14)
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n/an/a 200n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged KDM4E catalytic domain (1 to 337 residues) expressed in Escherichia coli using ARK(me3)STGGK as substrate ...


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50153341
PNG
(CHEMBL3774845)
Show SMILES OC(=O)c1ccncc1NC(=O)CCCc1ccccc1
Show InChI InChI=1S/C16H16N2O3/c19-15(8-4-7-12-5-2-1-3-6-12)18-14-11-17-10-9-13(14)16(20)21/h1-3,5-6,9-11H,4,7-8H2,(H,18,19)(H,20,21)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human KDM4D (11 to 341 residues) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectromet...


J Med Chem 59: 1357-69 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01537
BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM50396018
PNG
(CHEMBL1230640)
Show SMILES OC(=O)c1ccc(O)c2ncccc12
Show InChI InChI=1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14)
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Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant JMJD2E (unknown origin) incubated for 15 mins prior to substrate addition by AlphaScreen method


J Med Chem 57: 42-55 (2014)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50149925
PNG
(CHEMBL3770740)
Show SMILES Oc1cc(Oc2nc3cnccc3c(=O)[nH]2)ccc1Cl
Show InChI InChI=1S/C13H8ClN3O3/c14-9-2-1-7(5-11(9)18)20-13-16-10-6-15-4-3-8(10)12(19)17-13/h1-6,18H,(H,16,17,19)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of KDM4D (unknown origin) by RFMS assay


J Med Chem 59: 1370-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01538
BindingDB Entry DOI: 10.7270/Q26D5VV2
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM50396018
PNG
(CHEMBL1230640)
Show SMILES OC(=O)c1ccc(O)c2ncccc12
Show InChI InChI=1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14)
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University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM4E (unknown origin)


Medchemcomm 5: 1879-1886 (2014)

More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM50498665
PNG
(CHEMBL1982368)
Show SMILES Clc1ccc(N\N=C(/c2ccccc2)c2ccccn2)nc1
Show InChI InChI=1S/C17H13ClN4/c18-14-9-10-16(20-12-14)21-22-17(13-6-2-1-3-7-13)15-8-4-5-11-19-15/h1-12H,(H,20,21)/b22-17+
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University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM4E (unknown origin)


Medchemcomm 5: 1879-1886 (2014)

More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM50149920
PNG
(CHEMBL3769724)
Show SMILES O=c1[nH]c(Oc2cnn(c2)C2CCCC2)nc2cnccc12
Show InChI InChI=1S/C15H15N5O2/c21-14-12-5-6-16-8-13(12)18-15(19-14)22-11-7-17-20(9-11)10-3-1-2-4-10/h5-10H,1-4H2,(H,18,19,21)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of KDM4E (unknown origin) by RFMS assay


J Med Chem 59: 1370-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01538
BindingDB Entry DOI: 10.7270/Q26D5VV2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM195612
PNG
(GSK467)
Show SMILES O=c1[nH]c(Oc2cnn(Cc3ccccc3)c2)nc2cnccc12
Show InChI InChI=1S/C17H13N5O2/c23-16-14-6-7-18-9-15(14)20-17(21-16)24-13-8-19-22(11-13)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,21,23)
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n/an/a 398n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of KDM4D (unknown origin) by RFMS assay


J Med Chem 59: 1370-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01538
BindingDB Entry DOI: 10.7270/Q26D5VV2
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM50149924
PNG
(CHEMBL3769511)
Show SMILES CC(C)c1ccc(Oc2nc3cnccc3c(=O)[nH]2)cn1
Show InChI InChI=1S/C15H14N4O2/c1-9(2)12-4-3-10(7-17-12)21-15-18-13-8-16-6-5-11(13)14(20)19-15/h3-9H,1-2H3,(H,18,19,20)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of KDM4E (unknown origin) by RFMS assay


J Med Chem 59: 1370-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01538
BindingDB Entry DOI: 10.7270/Q26D5VV2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50153340
PNG
(CHEMBL3775245)
Show SMILES OC(=O)c1ccncc1NC(=O)CCc1ccccc1
Show InChI InChI=1S/C15H14N2O3/c18-14(7-6-11-4-2-1-3-5-11)17-13-10-16-9-8-12(13)15(19)20/h1-5,8-10H,6-7H2,(H,17,18)(H,19,20)
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n/an/a 398n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human KDM4D (11 to 341 residues) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectromet...


J Med Chem 59: 1357-69 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01537
BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM50498673
PNG
(CHEMBL3621852)
Show SMILES OC(=O)c1ccnc(c1)-c1ccccn1
Show InChI InChI=1S/C11H8N2O2/c14-11(15)8-4-6-13-10(7-8)9-3-1-2-5-12-9/h1-7H,(H,14,15)
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n/an/a 398n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM4E (unknown origin) by alpha screen assay


Medchemcomm 5: 1879-1886 (2014)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50149917
PNG
(CHEMBL3771198)
Show SMILES O=c1[nH]c(Oc2cnn(CC3CCCCC3)c2)nc2cnccc12
Show InChI InChI=1S/C17H19N5O2/c23-16-14-6-7-18-9-15(14)20-17(21-16)24-13-8-19-22(11-13)10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H,20,21,23)
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n/an/a 398n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of KDM4D (unknown origin) by RFMS assay


J Med Chem 59: 1370-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01538
BindingDB Entry DOI: 10.7270/Q26D5VV2
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM50129197
PNG
(4-(Hydroxyamino)-4-oxobutanoic acid | CHEMBL51979 ...)
Show SMILES ONC(=O)CCC(O)=O
Show InChI InChI=1S/C4H7NO4/c6-3(5-9)1-2-4(7)8/h9H,1-2H2,(H,5,6)(H,7,8)
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n/an/a 400n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM4E expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50242878
PNG
(CHEMBL4090908)
Show SMILES Cc1nn2c(nc(O)c3cccnc23)c1C#N
Show InChI InChI=1S/C11H7N5O/c1-6-8(5-12)10-14-11(17)7-3-2-4-13-9(7)16(10)15-6/h2-4H,1H3,(H,14,17)
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n/an/a 410n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.


Bioorg Med Chem Lett 27: 3201-3204 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.002
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM50495468
PNG
(CHEMBL3108958)
Show SMILES OC(=O)C(F)(F)F.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccnc(c2)-c2cc(ccn2)C(O)=O)cc1
Show InChI InChI=1S/C21H18N4O3.C2HF3O2/c22-17-11-16(17)12-1-3-15(4-2-12)25-20(26)13-5-7-23-18(9-13)19-10-14(21(27)28)6-8-24-19;3-2(4,5)1(6)7/h1-10,16-17H,11,22H2,(H,25,26)(H,27,28);(H,6,7)/t16-,17+;/m0./s1
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n/an/a 420n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant JMJD2E (unknown origin) incubated for 15 mins prior to substrate addition by AlphaScreen method


J Med Chem 57: 42-55 (2014)

More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM195612
PNG
(GSK467)
Show SMILES O=c1[nH]c(Oc2cnn(Cc3ccccc3)c2)nc2cnccc12
Show InChI InChI=1S/C17H13N5O2/c23-16-14-6-7-18-9-15(14)20-17(21-16)24-13-8-19-22(11-13)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,21,23)
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n/an/a 501n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of KDM4E (unknown origin) by RFMS assay


J Med Chem 59: 1370-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01538
BindingDB Entry DOI: 10.7270/Q26D5VV2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50149920
PNG
(CHEMBL3769724)
Show SMILES O=c1[nH]c(Oc2cnn(c2)C2CCCC2)nc2cnccc12
Show InChI InChI=1S/C15H15N5O2/c21-14-12-5-6-16-8-13(12)18-15(19-14)22-11-7-17-20(9-11)10-3-1-2-4-10/h5-10H,1-4H2,(H,18,19,21)
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n/an/a 501n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of KDM4D (unknown origin) by RFMS assay


J Med Chem 59: 1370-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01538
BindingDB Entry DOI: 10.7270/Q26D5VV2
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM50149917
PNG
(CHEMBL3771198)
Show SMILES O=c1[nH]c(Oc2cnn(CC3CCCCC3)c2)nc2cnccc12
Show InChI InChI=1S/C17H19N5O2/c23-16-14-6-7-18-9-15(14)20-17(21-16)24-13-8-19-22(11-13)10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H,20,21,23)
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n/an/a 501n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of KDM4E (unknown origin) by RFMS assay


J Med Chem 59: 1370-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01538
BindingDB Entry DOI: 10.7270/Q26D5VV2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50149924
PNG
(CHEMBL3769511)
Show SMILES CC(C)c1ccc(Oc2nc3cnccc3c(=O)[nH]2)cn1
Show InChI InChI=1S/C15H14N4O2/c1-9(2)12-4-3-10(7-17-12)21-15-18-13-8-16-6-5-11(13)14(20)19-15/h3-9H,1-2H3,(H,18,19,20)
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n/an/a 631n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of KDM4D (unknown origin) by RFMS assay


J Med Chem 59: 1370-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01538
BindingDB Entry DOI: 10.7270/Q26D5VV2
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM50122002
PNG
(CHEMBL1383671)
Show SMILES Nc1cnccc1C(O)=O
Show InChI InChI=1S/C6H6N2O2/c7-5-3-8-2-1-4(5)6(9)10/h1-3H,7H2,(H,9,10)
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n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of KDM4E (unknown origin) by RFMS assay


J Med Chem 59: 1370-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01538
BindingDB Entry DOI: 10.7270/Q26D5VV2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM50396018
PNG
(CHEMBL1230640)
Show SMILES OC(=O)c1ccc(O)c2ncccc12
Show InChI InChI=1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14)
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged KDM4E catalytic domain (1 to 337 residues) expressed in Escherichia coli using ARK(me3)STGGK as substrate ...


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM26113
PNG
(2,4 PDCA | cid_10365 | pyridine carboxylate, 6a | ...)
Show SMILES OC(=O)c1ccnc(c1)C(O)=O
Show InChI InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
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n/an/a 1.40E+3n/an/an/an/a7.537



University of Oxford



Assay Description
A coupled-assay for JMJD2E activity employing formaldehyde dehydrogenase (FDH) from Pseudomonas putida was developed. Formaldehyde release by demethy...


J Med Chem 51: 7053-6 (2008)


Article DOI: 10.1021/jm800936s
BindingDB Entry DOI: 10.7270/Q2959FV4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50122002
PNG
(CHEMBL1383671)
Show SMILES Nc1cnccc1C(O)=O
Show InChI InChI=1S/C6H6N2O2/c7-5-3-8-2-1-4(5)6(9)10/h1-3H,7H2,(H,9,10)
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n/an/a 1.59E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of KDM4D (unknown origin) by RFMS assay


J Med Chem 59: 1370-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01538
BindingDB Entry DOI: 10.7270/Q26D5VV2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50122002
PNG
(CHEMBL1383671)
Show SMILES Nc1cnccc1C(O)=O
Show InChI InChI=1S/C6H6N2O2/c7-5-3-8-2-1-4(5)6(9)10/h1-3H,7H2,(H,9,10)
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n/an/a 1.59E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human KDM4D (11 to 341 residues) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectromet...


J Med Chem 59: 1357-69 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01537
BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50153344
PNG
(CHEMBL3774975)
Show SMILES OC(=O)c1ccncc1NC(=O)c1ccccc1
Show InChI InChI=1S/C13H10N2O3/c16-12(9-4-2-1-3-5-9)15-11-8-14-7-6-10(11)13(17)18/h1-8H,(H,15,16)(H,17,18)
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n/an/a 1.59E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human KDM4D (11 to 341 residues) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectromet...


J Med Chem 59: 1357-69 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01537
BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50242881
PNG
(CHEMBL4086607)
Show SMILES CCc1nn2c(nc(O)c3cccnc23)c1C#N
Show InChI InChI=1S/C12H9N5O/c1-2-9-8(6-13)11-15-12(18)7-4-3-5-14-10(7)17(11)16-9/h3-5H,2H2,1H3,(H,15,18)
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n/an/a 1.85E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.


Bioorg Med Chem Lett 27: 3201-3204 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.002
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM26113
PNG
(2,4 PDCA | cid_10365 | pyridine carboxylate, 6a | ...)
Show SMILES OC(=O)c1ccnc(c1)C(O)=O
Show InChI InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM4D (unknown origin) expressed in Escherichia coli using H3 (1 to 21 residues) K9Me3-GGK-Biotin KDM4 Cognate Ligand/10 uM alpha-ketog...


J Med Chem 59: 1580-98 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01527
BindingDB Entry DOI: 10.7270/Q2P84DRX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM50396018
PNG
(CHEMBL1230640)
Show SMILES OC(=O)c1ccc(O)c2ncccc12
Show InChI InChI=1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14)
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n/an/a 2.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of JMJD2E catalytic domain by mass spectrophotometric analysis


Eur J Med Chem 56: 179-194 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.010
BindingDB Entry DOI: 10.7270/Q2TQ62NX
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM50361472
PNG
(CHEMBL1938896)
Show SMILES OC(=O)c1ccnc(C(O)=O)c1Nc1ccccc1F
Show InChI InChI=1S/C13H9FN2O4/c14-8-3-1-2-4-9(8)16-10-7(12(17)18)5-6-15-11(10)13(19)20/h1-6,16H,(H,17,18)(H,19,20)
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n/an/a 2.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human JMJD2E


Eur J Med Chem 56: 179-194 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.010
BindingDB Entry DOI: 10.7270/Q2TQ62NX
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM81348
PNG
(β-Lapachone (A3) | R115 (Reactive Blue 2))
Show SMILES CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O
Show InChI InChI=1S/C15H14O3/c1-15(2)8-7-11-13(17)12(16)9-5-3-4-6-10(9)14(11)18-15/h3-6H,7-8H2,1-2H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of JMJD2E


Bioorg Med Chem 19: 3625-36 (2011)


Article DOI: 10.1016/j.bmc.2011.01.046
BindingDB Entry DOI: 10.7270/Q23X870S
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM50009001
PNG
(5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...)
Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1
Show InChI InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of JMJD2E


Bioorg Med Chem 19: 3625-36 (2011)


Article DOI: 10.1016/j.bmc.2011.01.046
BindingDB Entry DOI: 10.7270/Q23X870S
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of JMJD2E


Bioorg Med Chem 19: 3625-36 (2011)


Article DOI: 10.1016/j.bmc.2011.01.046
BindingDB Entry DOI: 10.7270/Q23X870S
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50242880
PNG
(CHEMBL4102450)
Show SMILES Oc1nc2c(cnn2c2c(cccc12)[N+]([O-])=O)C#N
Show InChI InChI=1S/C11H5N5O3/c12-4-6-5-13-15-9-7(11(17)14-10(6)15)2-1-3-8(9)16(18)19/h1-3,5H,(H,14,17)
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.14E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.


Bioorg Med Chem Lett 27: 3201-3204 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.002
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM50495470
PNG
(CHEMBL3108954)
Show SMILES Cl.N[C@H]1C[C@@H]1c1ccc(NC(=O)CCCCNC(=O)c2ccc(O)c3ncccc23)cc1
Show InChI InChI=1S/C24H26N4O3.ClH/c25-20-14-19(20)15-6-8-16(9-7-15)28-22(30)5-1-2-12-27-24(31)18-10-11-21(29)23-17(18)4-3-13-26-23;/h3-4,6-11,13,19-20,29H,1-2,5,12,14,25H2,(H,27,31)(H,28,30);1H/t19-,20+;/m1./s1
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MMDB

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UniProtKB/SwissProt

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PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant JMJD2E (unknown origin) incubated for 15 mins prior to substrate addition by AlphaScreen method


J Med Chem 57: 42-55 (2014)

More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM50495472
PNG
(CHEMBL3108952)
Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(O)c3ncccc23)cc1
Show InChI InChI=1S/C19H17N3O2.ClH/c20-16-10-15(16)11-3-5-12(6-4-11)22-19(24)14-7-8-17(23)18-13(14)2-1-9-21-18;/h1-9,15-16,23H,10,20H2,(H,22,24);1H/t15-,16+;/m0./s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant JMJD2E (unknown origin) incubated for 15 mins prior to substrate addition by AlphaScreen method


J Med Chem 57: 42-55 (2014)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50242879
PNG
(CHEMBL4068909)
Show SMILES N#Cc1cnn2c1ncc1cccnc21
Show InChI InChI=1S/C10H5N5/c11-4-8-6-14-15-9-7(2-1-3-12-9)5-13-10(8)15/h1-3,5-6H
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.03E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.


Bioorg Med Chem Lett 27: 3201-3204 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.002
More data for this
Ligand-Target Pair
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