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Compile Data Set for Download or QSAR

Found 191 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific demethylase 4A'   
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
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50158888
PNG
(CHEMBL3785984)
Show SMILES CCCCCCCCOC(=O)c1ccc(O)c2ncccc12
Show InChI InChI=1S/C18H23NO3/c1-2-3-4-5-6-7-13-22-18(21)15-10-11-16(20)17-14(15)9-8-12-19-17/h8-12,20H,2-7,13H2,1H3
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n/an/an/an/a 3.80E+3n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human Flag-tagged KDM4A expressed in human HeLa cells assessed as increase in H3K9me3 level after 24 hrs by DAPI staining based immunof...


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 4A


(Homo sapiens (Human))
BDBM50158849
PNG
(CHEMBL3785164)
Show SMILES Cc1ccsc1C(NC(=O)c1ccccc1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1S/C22H17ClN2O2S/c1-13-9-11-28-21(13)19(25-22(27)14-6-3-2-4-7-14)16-12-17(23)15-8-5-10-24-18(15)20(16)26/h2-12,19,26H,1H3,(H,25,27)
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n/an/an/an/a 9.00E+3n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of full-length FLAG-tagged KDM4A (unknown origin) expressed in human HeLa cells assessed as increase in H3K9me3 level after 24 hrs by DAPI...


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 4A


(Homo sapiens (Human))
BDBM50158849
PNG
(CHEMBL3785164)
Show SMILES Cc1ccsc1C(NC(=O)c1ccccc1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1S/C22H17ClN2O2S/c1-13-9-11-28-21(13)19(25-22(27)14-6-3-2-4-7-14)16-12-17(23)15-8-5-10-24-18(15)20(16)26/h2-12,19,26H,1H3,(H,25,27)
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n/an/an/an/a 1.20E+4n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM4A in human MCF7 cells assessed as increase in H3K9me3 level after 24 hrs by DAPI staining based immunofuorescence assay


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 4A


(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/an/an/a 8.70E+4n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human Flag-tagged KDM4A expressed in human HeLa cells assessed as increase in H3K9me3 level after 24 hrs by DAPI staining based immunof...


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 4A


(Homo sapiens (Human))
BDBM50158852
PNG
(CHEMBL3785340)
Show SMILES [I-].CCCCCC[n+]1ccc(\C=C\c2ccc(cc2)N(C)C)cc1
Show InChI InChI=1S/C21H29N2.HI/c1-4-5-6-7-16-23-17-14-20(15-18-23)9-8-19-10-12-21(13-11-19)22(2)3;/h8-15,17-18H,4-7,16H2,1-3H3;1H/q+1;/p-1
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420n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant His6-tagged KDM4A (1 to 359 residues) (unknown origin) expressed in Escherichia coli BL21 cells using methylsta...


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 4A


(Homo sapiens (Human))
BDBM50158851
PNG
(CHEMBL3786265)
Show SMILES [I-].CN(C)c1ccc(\C=C\c2cc[n+](Cc3ccc(F)cc3)cc2)cc1
Show InChI InChI=1S/C22H22FN2.HI/c1-24(2)22-11-7-18(8-12-22)3-4-19-13-15-25(16-14-19)17-20-5-9-21(23)10-6-20;/h3-16H,17H2,1-2H3;1H/q+1;/p-1
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520n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant His6-tagged KDM4A (1 to 359 residues) (unknown origin) expressed in Escherichia coli BL21 cells using methylsta...


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 4A


(Homo sapiens (Human))
BDBM50158850
PNG
(CHEMBL3785434)
Show SMILES NNC(=O)Cc1nnn[nH]1
Show InChI InChI=1S/C3H6N6O/c4-5-3(10)1-2-6-8-9-7-2/h1,4H2,(H,5,10)(H,6,7,8,9)
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1.94E+3n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Competitive inhibition of human KDM4A (1 to 359 residues) expressed in competent Escherichia coli BL21-CodonPlus-RIL cells using 2-oxoglutarate as su...


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 4A


(Homo sapiens (Human))
BDBM50158853
PNG
(CHEMBL3786188)
Show SMILES Cc1ccc(cc1)N1N=C(SC11SCC(=O)N1c1ccccc1)C(=O)c1ccccc1
Show InChI InChI=1S/C24H19N3O2S2/c1-17-12-14-20(15-13-17)27-24(26(21(28)16-30-24)19-10-6-3-7-11-19)31-23(25-27)22(29)18-8-4-2-5-9-18/h2-15H,16H2,1H3
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3.02E+3n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant His6-tagged KDM4A (1 to 359 residues) (unknown origin) expressed in Escherichia coli BL21 cells using methylsta...


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 4A (KDM4A)


(Homo sapiens (Human))
BDBM50047962
PNG
(CHEMBL1966136)
Show SMILES [O-][N+](=O)c1cc(c(\C=C\c2ccc(Cl)c(Cl)c2)cc1\C=C\c1ccc(Cl)c(Cl)c1)[N+]([O-])=O
Show InChI InChI=1S/C22H12Cl4N2O4/c23-17-7-3-13(9-19(17)25)1-5-15-11-16(22(28(31)32)12-21(15)27(29)30)6-2-14-4-8-18(24)20(26)10-14/h1-12H/b5-1+,6-2+
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5.50E+3n/an/an/an/an/an/an/an/a



National Tsing-Hua University

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human KDM4A (1 to 347 aa) expressed in Escherichia coli using H3K9me3 peptide as substrate after 30 mins by dou...


J Med Chem 57: 5975-85 (2014)


Article DOI: 10.1021/jm500249n
BindingDB Entry DOI: 10.7270/Q2QC0557
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM191598
PNG
(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(O)=O
Show InChI InChI=1S/C15H24N4O3/c1-4-19(8-7-18(2)3)14(20)11-16-10-13-9-12(15(21)22)5-6-17-13/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,21,22)
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n/an/a 600n/an/an/an/an/an/a



University of Oxford





Cell Chem Biol 24: 371-380 (2017)


Article DOI: 10.1016/j.chembiol.2017.02.006
BindingDB Entry DOI: 10.7270/Q23N2288
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM191599
PNG
(KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...)
Show SMILES CCOC(=O)c1ccnc(CNCC(=O)N(CC)CCN(C)C)c1
Show InChI InChI=1S/C17H28N4O3/c1-5-21(10-9-20(3)4)16(22)13-18-12-15-11-14(7-8-19-15)17(23)24-6-2/h7-8,11,18H,5-6,9-10,12-13H2,1-4H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Oxford





Cell Chem Biol 24: 371-380 (2017)


Article DOI: 10.1016/j.chembiol.2017.02.006
BindingDB Entry DOI: 10.7270/Q23N2288
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM223320
PNG
(KDOAM-25)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O
Show InChI InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Oxford





Cell Chem Biol 24: 371-380 (2017)


Article DOI: 10.1016/j.chembiol.2017.02.006
BindingDB Entry DOI: 10.7270/Q23N2288
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(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 4.20E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2A expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay


J Med Chem 53: 5629-38 (2010)


Article DOI: 10.1021/jm1003655
BindingDB Entry DOI: 10.7270/Q2N87B02
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50324531
PNG
(3-(N-hydroxyacetamido)propanoic acid | CHEMBL12154...)
Show SMILES CC(=O)N(O)CCC(O)=O
Show InChI InChI=1S/C5H9NO4/c1-4(7)6(10)3-2-5(8)9/h10H,2-3H2,1H3,(H,8,9)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2A expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay


J Med Chem 53: 5629-38 (2010)


Article DOI: 10.1021/jm1003655
BindingDB Entry DOI: 10.7270/Q2N87B02
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50324532
PNG
(3-{[6-(Dimethylamino)hexanoyl](hydroxy)amino}propa...)
Show SMILES CN(C)CCCCCC(=O)N(O)CCC(O)=O
Show InChI InChI=1S/C11H22N2O4/c1-12(2)8-5-3-4-6-10(14)13(17)9-7-11(15)16/h17H,3-9H2,1-2H3,(H,15,16)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2A expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay


J Med Chem 53: 5629-38 (2010)


Article DOI: 10.1021/jm1003655
BindingDB Entry DOI: 10.7270/Q2N87B02
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50324533
PNG
(3-{[7-(Dimethylamino)heptanoyl](hydroxy)amino}prop...)
Show SMILES CN(C)CCCCCCC(=O)N(O)CCC(O)=O
Show InChI InChI=1S/C12H24N2O4/c1-13(2)9-6-4-3-5-7-11(15)14(18)10-8-12(16)17/h18H,3-10H2,1-2H3,(H,16,17)
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n/an/a 8.70E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2A expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay


J Med Chem 53: 5629-38 (2010)


Article DOI: 10.1021/jm1003655
BindingDB Entry DOI: 10.7270/Q2N87B02
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50324534
PNG
(3-{[8-(Dimethylamino)octanoyl](hydroxy)amino}propa...)
Show SMILES CN(C)CCCCCCCC(=O)N(O)CCC(O)=O
Show InChI InChI=1S/C13H26N2O4/c1-14(2)10-7-5-3-4-6-8-12(16)15(19)11-9-13(17)18/h19H,3-11H2,1-2H3,(H,17,18)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2A expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay


J Med Chem 53: 5629-38 (2010)


Article DOI: 10.1021/jm1003655
BindingDB Entry DOI: 10.7270/Q2N87B02
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50324535
PNG
(3-{[9-(Dimethylamino)nonanoyl](hydroxy)amino}propa...)
Show SMILES CN(C)CCCCCCCCC(=O)N(O)CCC(O)=O
Show InChI InChI=1S/C14H28N2O4/c1-15(2)11-8-6-4-3-5-7-9-13(17)16(20)12-10-14(18)19/h20H,3-12H2,1-2H3,(H,18,19)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2A expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay


J Med Chem 53: 5629-38 (2010)


Article DOI: 10.1021/jm1003655
BindingDB Entry DOI: 10.7270/Q2N87B02
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50324536
PNG
(3-{[10-(Dimethylamino)decanoyl](hydroxy)amino}prop...)
Show SMILES CN(C)CCCCCCCCCC(=O)N(O)CCC(O)=O
Show InChI InChI=1S/C15H30N2O4/c1-16(2)12-9-7-5-3-4-6-8-10-14(18)17(21)13-11-15(19)20/h21H,3-13H2,1-2H3,(H,19,20)
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n/an/a 5.50E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2A expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay


J Med Chem 53: 5629-38 (2010)


Article DOI: 10.1021/jm1003655
BindingDB Entry DOI: 10.7270/Q2N87B02
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50324537
PNG
(3-{[11-(Dimethylamino)undecanoyl](hydroxy)amino}pr...)
Show SMILES CN(C)CCCCCCCCCCC(=O)N(O)CCC(O)=O
Show InChI InChI=1S/C16H32N2O4/c1-17(2)13-10-8-6-4-3-5-7-9-11-15(19)18(22)14-12-16(20)21/h22H,3-14H2,1-2H3,(H,20,21)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2A expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay


J Med Chem 53: 5629-38 (2010)


Article DOI: 10.1021/jm1003655
BindingDB Entry DOI: 10.7270/Q2N87B02
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50324538
PNG
(3-{[12-(Dimethylamino)dodecanoyl](hydroxy)amino}pr...)
Show SMILES CN(C)CCCCCCCCCCCC(=O)N(O)CCC(O)=O
Show InChI InChI=1S/C17H34N2O4/c1-18(2)14-11-9-7-5-3-4-6-8-10-12-16(20)19(23)15-13-17(21)22/h23H,3-15H2,1-2H3,(H,21,22)
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n/an/a 2.20E+4n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2A expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay


J Med Chem 53: 5629-38 (2010)


Article DOI: 10.1021/jm1003655
BindingDB Entry DOI: 10.7270/Q2N87B02
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50324527
PNG
(4-[(8-Dimethylaminooctyl)-(hydroxyl)amino]-4-oxobu...)
Show SMILES CN(C)CCCCCCCCN(O)C(=O)CCC(O)=O
Show InChI InChI=1S/C14H28N2O4/c1-15(2)11-7-5-3-4-6-8-12-16(20)13(17)9-10-14(18)19/h20H,3-12H2,1-2H3,(H,18,19)
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n/an/a 8.10E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2A expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay


J Med Chem 53: 5629-38 (2010)


Article DOI: 10.1021/jm1003655
BindingDB Entry DOI: 10.7270/Q2N87B02
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50324526
PNG
(3-(N-Hydroxy-7-methyloctanamido)propanoic acid | C...)
Show SMILES CC(C)CCCCCC(=O)N(O)CCC(O)=O
Show InChI InChI=1S/C12H23NO4/c1-10(2)6-4-3-5-7-11(14)13(17)9-8-12(15)16/h10,17H,3-9H2,1-2H3,(H,15,16)
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n/an/a 1.20E+5n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2A expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay


J Med Chem 53: 5629-38 (2010)


Article DOI: 10.1021/jm1003655
BindingDB Entry DOI: 10.7270/Q2N87B02
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50324528
PNG
(3-({9-[Butyl(methyl)]amino}nonanoyl(hydroxy)amino)...)
Show SMILES CCCCN(C)CCCCCCCCC(=O)N(O)CCC(O)=O
Show InChI InChI=1S/C17H34N2O4/c1-3-4-13-18(2)14-10-8-6-5-7-9-11-16(20)19(23)15-12-17(21)22/h23H,3-15H2,1-2H3,(H,21,22)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2A expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay


J Med Chem 53: 5629-38 (2010)


Article DOI: 10.1021/jm1003655
BindingDB Entry DOI: 10.7270/Q2N87B02
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50324529
PNG
(3-({9-[Benzyl(methyl)]amino}nonanoyl(hydroxy)amino...)
Show SMILES CN(CCCCCCCCC(=O)N(O)CCC(O)=O)Cc1ccccc1
Show InChI InChI=1S/C20H32N2O4/c1-21(17-18-11-7-6-8-12-18)15-10-5-3-2-4-9-13-19(23)22(26)16-14-20(24)25/h6-8,11-12,26H,2-5,9-10,13-17H2,1H3,(H,24,25)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2A expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay


J Med Chem 53: 5629-38 (2010)


Article DOI: 10.1021/jm1003655
BindingDB Entry DOI: 10.7270/Q2N87B02
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50324530
PNG
(CHEMBL1215590 | tert-Butyl 3-({Hydroxy[9-(methylam...)
Show SMILES CNCCCCCCCCC(=O)N(O)CCC(O)=O
Show InChI InChI=1S/C13H26N2O4/c1-14-10-7-5-3-2-4-6-8-12(16)15(19)11-9-13(17)18/h14,19H,2-11H2,1H3,(H,17,18)
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n/an/a 4.40E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2A expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay


J Med Chem 53: 5629-38 (2010)


Article DOI: 10.1021/jm1003655
BindingDB Entry DOI: 10.7270/Q2N87B02
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM26106
PNG
(CHEMBL90852 | N-oxalyl glycine, 1a | NOG | Oxalylg...)
Show SMILES OC(=O)CNC(=O)C(O)=O
Show InChI InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10)
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n/an/a 2.50E+5n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2A expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay


J Med Chem 53: 5629-38 (2010)


Article DOI: 10.1021/jm1003655
BindingDB Entry DOI: 10.7270/Q2N87B02
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50306579
PNG
((R)-2-(carboxyformamido)-3-(4-(2-fluorobenzyloxy)p...)
Show SMILES OC(=O)[C@@H](Cc1ccc(OCc2ccccc2F)cc1)NC(=O)C(O)=O
Show InChI InChI=1S/C18H16FNO6/c19-14-4-2-1-3-12(14)10-26-13-7-5-11(6-8-13)9-15(17(22)23)20-16(21)18(24)25/h1-8,15H,9-10H2,(H,20,21)(H,22,23)(H,24,25)/t15-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of JMJD2A by MALDI-TOF assay


J Med Chem 53: 1810-8 (2010)


Article DOI: 10.1021/jm901680b
BindingDB Entry DOI: 10.7270/Q2959HPQ
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50306583
PNG
((R)-2-(carboxyformamido)-3-(4-(phenylsulfonyloxy)p...)
Show SMILES OC(=O)[C@@H](Cc1ccc(OS(=O)(=O)c2ccccc2)cc1)NC(=O)C(O)=O
Show InChI InChI=1S/C17H15NO8S/c19-15(17(22)23)18-14(16(20)21)10-11-6-8-12(9-7-11)26-27(24,25)13-4-2-1-3-5-13/h1-9,14H,10H2,(H,18,19)(H,20,21)(H,22,23)/t14-/m1/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of JMJD2A by MALDI-TOF assay


J Med Chem 53: 1810-8 (2010)


Article DOI: 10.1021/jm901680b
BindingDB Entry DOI: 10.7270/Q2959HPQ
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50306584
PNG
((R)-2-(carboxyformamido)-3-(4-(2-nitrobenzyloxy)ph...)
Show SMILES OC(=O)[C@@H](Cc1ccc(OCc2ccccc2[N+]([O-])=O)cc1)NC(=O)C(O)=O
Show InChI InChI=1S/C18H16N2O8/c21-16(18(24)25)19-14(17(22)23)9-11-5-7-13(8-6-11)28-10-12-3-1-2-4-15(12)20(26)27/h1-8,14H,9-10H2,(H,19,21)(H,22,23)(H,24,25)/t14-/m1/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of JMJD2A by MALDI-TOF assay


J Med Chem 53: 1810-8 (2010)


Article DOI: 10.1021/jm901680b
BindingDB Entry DOI: 10.7270/Q2959HPQ
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50306581
PNG
((R)-3-(4-(4-tert-butylphenylsulfonyloxy)phenyl)-2-...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Oc1ccc(C[C@@H](NC(=O)C(O)=O)C(O)=O)cc1
Show InChI InChI=1S/C21H23NO8S/c1-21(2,3)14-6-10-16(11-7-14)31(28,29)30-15-8-4-13(5-9-15)12-17(19(24)25)22-18(23)20(26)27/h4-11,17H,12H2,1-3H3,(H,22,23)(H,24,25)(H,26,27)/t17-/m1/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of JMJD2A by MALDI-TOF assay


J Med Chem 53: 1810-8 (2010)


Article DOI: 10.1021/jm901680b
BindingDB Entry DOI: 10.7270/Q2959HPQ
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50306580
PNG
((R)-3-(4-(4-bromophenylsulfonyloxy)phenyl)-2-(carb...)
Show SMILES OC(=O)[C@@H](Cc1ccc(OS(=O)(=O)c2ccc(Br)cc2)cc1)NC(=O)C(O)=O
Show InChI InChI=1S/C17H14BrNO8S/c18-11-3-7-13(8-4-11)28(25,26)27-12-5-1-10(2-6-12)9-14(16(21)22)19-15(20)17(23)24/h1-8,14H,9H2,(H,19,20)(H,21,22)(H,23,24)/t14-/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of JMJD2A by MALDI-TOF assay


J Med Chem 53: 1810-8 (2010)


Article DOI: 10.1021/jm901680b
BindingDB Entry DOI: 10.7270/Q2959HPQ
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50306585
PNG
((R)-2-(carboxyformamido)-3-(4-(4-fluorophenylsulfo...)
Show SMILES OC(=O)[C@@H](Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)NC(=O)C(O)=O
Show InChI InChI=1S/C17H14FNO8S/c18-11-3-7-13(8-4-11)28(25,26)27-12-5-1-10(2-6-12)9-14(16(21)22)19-15(20)17(23)24/h1-8,14H,9H2,(H,19,20)(H,21,22)(H,23,24)/t14-/m1/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of JMJD2A by MALDI-TOF assay


J Med Chem 53: 1810-8 (2010)


Article DOI: 10.1021/jm901680b
BindingDB Entry DOI: 10.7270/Q2959HPQ
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50306582
PNG
((R)-2-(carboxyformamido)-3-(4-(2-oxo-2-(4-(pyrroli...)
Show SMILES OC(=O)[C@@H](Cc1ccc(OCC(=O)c2ccc(cc2)N2CCCC2)cc1)NC(=O)C(O)=O
Show InChI InChI=1S/C23H24N2O7/c26-20(16-5-7-17(8-6-16)25-11-1-2-12-25)14-32-18-9-3-15(4-10-18)13-19(22(28)29)24-21(27)23(30)31/h3-10,19H,1-2,11-14H2,(H,24,27)(H,28,29)(H,30,31)/t19-/m1/s1
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University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of JMJD2A by MALDI-TOF assay


J Med Chem 53: 1810-8 (2010)


Article DOI: 10.1021/jm901680b
BindingDB Entry DOI: 10.7270/Q2959HPQ
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50306586
PNG
((R)-3-(4-(benzyloxy)phenyl)-2-(carboxyformamido)pr...)
Show SMILES OC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)C(O)=O
Show InChI InChI=1S/C18H17NO6/c20-16(18(23)24)19-15(17(21)22)10-12-6-8-14(9-7-12)25-11-13-4-2-1-3-5-13/h1-9,15H,10-11H2,(H,19,20)(H,21,22)(H,23,24)/t15-/m1/s1
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n/an/a 3.30E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of JMJD2A by MALDI-TOF assay


J Med Chem 53: 1810-8 (2010)


Article DOI: 10.1021/jm901680b
BindingDB Entry DOI: 10.7270/Q2959HPQ
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50047962
PNG
(CHEMBL1966136)
Show SMILES [O-][N+](=O)c1cc(c(\C=C\c2ccc(Cl)c(Cl)c2)cc1\C=C\c1ccc(Cl)c(Cl)c1)[N+]([O-])=O
Show InChI InChI=1S/C22H12Cl4N2O4/c23-17-7-3-13(9-19(17)25)1-5-15-11-16(22(28(31)32)12-21(15)27(29)30)6-2-14-4-8-18(24)20(26)10-14/h1-12H/b5-1+,6-2+
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n/an/a 6.40E+3n/an/an/an/an/an/a



National Tsing-Hua University

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human KDM4A (1 to 347 aa) expressed in Escherichia coli using H3K9me3 (3 to 17 aa) peptide as substrate after 3...


J Med Chem 57: 5975-85 (2014)


Article DOI: 10.1021/jm500249n
BindingDB Entry DOI: 10.7270/Q2QC0557
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50133269
PNG
(CHEMBL3634932)
Show SMILES OC(=O)c1ccc(O)c2nc(ccc12)C(=O)Nc1ccccn1
Show InChI InChI=1S/C16H11N3O4/c20-12-7-5-10(16(22)23)9-4-6-11(18-14(9)12)15(21)19-13-3-1-2-8-17-13/h1-8,20H,(H,22,23)(H,17,19,21)
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n/an/a 2.80E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human JMJD2A using biotinylated histone H3 as substrate by AlphaScreen assay


Eur J Med Chem 105: 145-55 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.013
BindingDB Entry DOI: 10.7270/Q2ZG6V2N
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(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 3.20E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human JMJD2A using biotinylated histone H3 as substrate by AlphaScreen assay


Eur J Med Chem 105: 145-55 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.013
BindingDB Entry DOI: 10.7270/Q2ZG6V2N
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50133270
PNG
(CHEMBL3634933)
Show SMILES OC(=O)c1ccc(O)c2nc(ccc12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C17H12N2O4/c20-14-9-7-12(17(22)23)11-6-8-13(19-15(11)14)16(21)18-10-4-2-1-3-5-10/h1-9,20H,(H,18,21)(H,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human JMJD2A using biotinylated histone H3 as substrate by AlphaScreen assay


Eur J Med Chem 105: 145-55 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.013
BindingDB Entry DOI: 10.7270/Q2ZG6V2N
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50133271
PNG
(CHEMBL3634954)
Show SMILES CN1CCC(CC1)C(=O)c1ccc2c(ccc(O)c2n1)C(O)=O
Show InChI InChI=1S/C17H18N2O4/c1-19-8-6-10(7-9-19)16(21)13-4-2-11-12(17(22)23)3-5-14(20)15(11)18-13/h2-5,10,20H,6-9H2,1H3,(H,22,23)
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n/an/a 5.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human JMJD2A using biotinylated histone H3 as substrate by AlphaScreen assay


Eur J Med Chem 105: 145-55 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.013
BindingDB Entry DOI: 10.7270/Q2ZG6V2N
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50133274
PNG
(CHEMBL3634941)
Show SMILES Cc1ccc(NC(=O)c2ccc3c(ccc(O)c3n2)C(O)=O)cc1
Show InChI InChI=1S/C18H14N2O4/c1-10-2-4-11(5-3-10)19-17(22)14-8-6-12-13(18(23)24)7-9-15(21)16(12)20-14/h2-9,21H,1H3,(H,19,22)(H,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human JMJD2A using biotinylated histone H3 as substrate by AlphaScreen assay


Eur J Med Chem 105: 145-55 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.013
BindingDB Entry DOI: 10.7270/Q2ZG6V2N
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50133275
PNG
(CHEMBL3634940)
Show SMILES Cc1ccccc1NC(=O)c1ccc2c(ccc(O)c2n1)C(O)=O
Show InChI InChI=1S/C18H14N2O4/c1-10-4-2-3-5-13(10)20-17(22)14-8-6-11-12(18(23)24)7-9-15(21)16(11)19-14/h2-9,21H,1H3,(H,20,22)(H,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human JMJD2A using biotinylated histone H3 as substrate by AlphaScreen assay


Eur J Med Chem 105: 145-55 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.013
BindingDB Entry DOI: 10.7270/Q2ZG6V2N
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50133276
PNG
(CHEMBL3634939)
Show SMILES Cc1cccc(NC(=O)c2ccc3c(ccc(O)c3n2)C(O)=O)c1
Show InChI InChI=1S/C18H14N2O4/c1-10-3-2-4-11(9-10)19-17(22)14-7-5-12-13(18(23)24)6-8-15(21)16(12)20-14/h2-9,21H,1H3,(H,19,22)(H,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human JMJD2A using biotinylated histone H3 as substrate by AlphaScreen assay


Eur J Med Chem 105: 145-55 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.013
BindingDB Entry DOI: 10.7270/Q2ZG6V2N
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50133277
PNG
(CHEMBL3634938)
Show SMILES COc1cccc(NC(=O)c2ccc3c(ccc(O)c3n2)C(O)=O)c1
Show InChI InChI=1S/C18H14N2O5/c1-25-11-4-2-3-10(9-11)19-17(22)14-7-5-12-13(18(23)24)6-8-15(21)16(12)20-14/h2-9,21H,1H3,(H,19,22)(H,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human JMJD2A using biotinylated histone H3 as substrate by AlphaScreen assay


Eur J Med Chem 105: 145-55 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.013
BindingDB Entry DOI: 10.7270/Q2ZG6V2N
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50133283
PNG
(CHEMBL3634937)
Show SMILES COc1ccc(NC(=O)c2ccc3c(ccc(O)c3n2)C(O)=O)cc1
Show InChI InChI=1S/C18H14N2O5/c1-25-11-4-2-10(3-5-11)19-17(22)14-8-6-12-13(18(23)24)7-9-15(21)16(12)20-14/h2-9,21H,1H3,(H,19,22)(H,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human JMJD2A using biotinylated histone H3 as substrate by AlphaScreen assay


Eur J Med Chem 105: 145-55 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.013
BindingDB Entry DOI: 10.7270/Q2ZG6V2N
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50133284
PNG
(CHEMBL3634936)
Show SMILES OC(=O)c1ccc(O)c2nc(ccc12)C(=O)NC1CCCCC1
Show InChI InChI=1S/C17H18N2O4/c20-14-9-7-12(17(22)23)11-6-8-13(19-15(11)14)16(21)18-10-4-2-1-3-5-10/h6-10,20H,1-5H2,(H,18,21)(H,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human JMJD2A using biotinylated histone H3 as substrate by AlphaScreen assay


Eur J Med Chem 105: 145-55 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.013
BindingDB Entry DOI: 10.7270/Q2ZG6V2N
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50133287
PNG
(CHEMBL3634935)
Show SMILES CN(C)C(=O)c1ccc2c(ccc(O)c2n1)C(O)=O
Show InChI InChI=1S/C13H12N2O4/c1-15(2)12(17)9-5-3-7-8(13(18)19)4-6-10(16)11(7)14-9/h3-6,16H,1-2H3,(H,18,19)
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n/an/a 3.70E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human JMJD2A using biotinylated histone H3 as substrate by AlphaScreen assay


Eur J Med Chem 105: 145-55 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.013
BindingDB Entry DOI: 10.7270/Q2ZG6V2N
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50133288
PNG
(CHEMBL3634934)
Show SMILES OC(=O)c1ccc(O)c2nc(ccc12)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C21H14N2O4/c24-18-11-9-15(21(26)27)14-8-10-17(22-19(14)18)20(25)23-16-7-3-5-12-4-1-2-6-13(12)16/h1-11,24H,(H,23,25)(H,26,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human JMJD2A using biotinylated histone H3 as substrate by AlphaScreen assay


Eur J Med Chem 105: 145-55 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.013
BindingDB Entry DOI: 10.7270/Q2ZG6V2N
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50133289
PNG
(CHEMBL3634953)
Show SMILES OC(=O)c1ccc(O)c2nc(ccc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C15H14N2O5/c18-12-4-2-10(15(20)21)9-1-3-11(16-13(9)12)14(19)17-5-7-22-8-6-17/h1-4,18H,5-8H2,(H,20,21)
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n/an/a 5.10E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human JMJD2A using biotinylated histone H3 as substrate by AlphaScreen assay


Eur J Med Chem 105: 145-55 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.013
BindingDB Entry DOI: 10.7270/Q2ZG6V2N
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50133290
PNG
(CHEMBL3634952)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(ccc(O)c2n1)C(O)=O
Show InChI InChI=1S/C16H17N3O4/c1-18-6-8-19(9-7-18)15(21)12-4-2-10-11(16(22)23)3-5-13(20)14(10)17-12/h2-5,20H,6-9H2,1H3,(H,22,23)
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PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human JMJD2A using biotinylated histone H3 as substrate by AlphaScreen assay


Eur J Med Chem 105: 145-55 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.013
BindingDB Entry DOI: 10.7270/Q2ZG6V2N
More data for this
Ligand-Target Pair
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