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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))
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


(Homo sapiens (Human))
BDBM50153092
PNG
(CHEMBL3775894)
Show SMILES Clc1cc(Cl)cc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1
Show InChI InChI=1S/C23H22Cl2N6O/c24-18-9-17(10-19(25)11-18)16-3-7-30(8-4-16)6-2-15-12-29-31(13-15)22-21-20(1-5-26-22)23(32)28-14-27-21/h1,5,9-14,16H,2-4,6-8H2,(H,27,28,32)
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n/an/a 80n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1388-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01635
BindingDB Entry DOI: 10.7270/Q2W097TR
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50158693
PNG
(CHEMBL3787133)
Show SMILES Cn1cnc(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C10H9N3O2/c1-13-5-9(12-6-13)8-4-7(10(14)15)2-3-11-8/h2-6H,1H3,(H,14,15)
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n/an/a<100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged KDM4A (1 to 350 residues) expressed in Escherichia coli using biotin-H3K9me3 substrate incubate...


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))
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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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM4A (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 4A


(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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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM4A (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 4A


(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<100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged KDM4A (1 to 350 residues) expressed in Escherichia coli using methylated biotin-H3K9 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 4A


(Homo sapiens (Human))
BDBM50158621
PNG
(CHEMBL3785421)
Show SMILES OC(=O)c1ccnc2cc(OCc3ccc(Cl)c(OC(F)(F)F)c3)[nH]c12
Show InChI InChI=1S/C16H10ClF3N2O4/c17-10-2-1-8(5-12(10)26-16(18,19)20)7-25-13-6-11-14(22-13)9(15(23)24)3-4-21-11/h1-6,22H,7H2,(H,23,24)
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n/an/a 100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged KDM4A (1 to 350 residues) expressed in Escherichia coli using biotin-H3K9me3 substrate incubate...


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))
BDBM263974
PNG
(2-(5-(benzyloxy)-1H-pyrazol-1- yl)isonicotinic aci...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccccc1
Show InChI InChI=1S/C16H13N3O3/c20-16(21)13-6-8-17-14(10-13)19-15(7-9-18-19)22-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,20,21)
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n/an/a<100n/an/an/an/an/a25



Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2A was determined in 384-well plate format under the following reaction conditions: 2 nM...


US Patent US9714230 (2017)

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


(Homo sapiens (Human))
BDBM50158806
PNG
(CHEMBL3786108)
Show SMILES COc1cc(COc2cc3nccc(C(O)=O)c3[nH]2)ccc1Cl
Show InChI InChI=1S/C16H13ClN2O4/c1-22-13-6-9(2-3-11(13)17)8-23-14-7-12-15(19-14)10(16(20)21)4-5-18-12/h2-7,19H,8H2,1H3,(H,20,21)
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n/an/a 100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged KDM4A (1 to 350 residues) expressed in Escherichia coli using biotin-H3K9me3 substrate incubate...


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))
BDBM50151923
PNG
(CHEMBL3774537)
Show SMILES Clc1cccc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1
Show InChI InChI=1S/C23H23ClN6O/c24-19-3-1-2-18(12-19)17-6-10-29(11-7-17)9-5-16-13-28-30(14-16)22-21-20(4-8-25-22)23(31)27-15-26-21/h1-4,8,12-15,17H,5-7,9-11H2,(H,26,27,31)
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n/an/a 102n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1388-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01635
BindingDB Entry DOI: 10.7270/Q2W097TR
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50153101
PNG
(CHEMBL3774665)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1
Show InChI InChI=1S/C24H26N6O3S/c1-34(32,33)20-4-2-18(3-5-20)19-8-12-29(13-9-19)11-7-17-14-28-30(15-17)23-22-21(6-10-25-23)24(31)27-16-26-22/h2-6,10,14-16,19H,7-9,11-13H2,1H3,(H,26,27,31)
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n/an/a 109n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1388-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01635
BindingDB Entry DOI: 10.7270/Q2W097TR
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50151919
PNG
(CHEMBL3775121)
Show SMILES Fc1ccc(C2CCN(CCc3cnn(c3)-c3nccc4c3nc[nH]c4=O)CC2)c(F)c1
Show InChI InChI=1S/C23H22F2N6O/c24-17-1-2-18(20(25)11-17)16-5-9-30(10-6-16)8-4-15-12-29-31(13-15)22-21-19(3-7-26-22)23(32)28-14-27-21/h1-3,7,11-14,16H,4-6,8-10H2,(H,27,28,32)
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n/an/a 110n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1388-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01635
BindingDB Entry DOI: 10.7270/Q2W097TR
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50153099
PNG
(CHEMBL3775814)
Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(CC2)c2ccc(cc2)C#N)cn1
Show InChI InChI=1S/C24H23N7O/c25-13-17-1-3-19(4-2-17)20-7-11-30(12-8-20)10-6-18-14-29-31(15-18)23-22-21(5-9-26-23)24(32)28-16-27-22/h1-5,9,14-16,20H,6-8,10-12H2,(H,27,28,32)
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n/an/a 118n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1388-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01635
BindingDB Entry DOI: 10.7270/Q2W097TR
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50153161
PNG
(CHEMBL3775545)
Show SMILES COc1ccc(cc1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1
Show InChI InChI=1S/C24H26N6O2/c1-32-20-4-2-18(3-5-20)19-8-12-29(13-9-19)11-7-17-14-28-30(15-17)23-22-21(6-10-25-23)24(31)27-16-26-22/h2-6,10,14-16,19H,7-9,11-13H2,1H3,(H,26,27,31)
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n/an/a 123n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1388-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01635
BindingDB Entry DOI: 10.7270/Q2W097TR
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(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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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM4A (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 4A


(Homo sapiens (Human))
BDBM50152029
PNG
(CHEMBL3775899)
Show SMILES Clc1ccc(CC2CCN(CCc3cnn(c3)-c3nccc4c3nc[nH]c4=O)CC2)cc1
Show InChI InChI=1S/C24H25ClN6O/c25-20-3-1-17(2-4-20)13-18-6-10-30(11-7-18)12-8-19-14-29-31(15-19)23-22-21(5-9-26-23)24(32)28-16-27-22/h1-5,9,14-16,18H,6-8,10-13H2,(H,27,28,32)
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n/an/a 126n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1388-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01635
BindingDB Entry DOI: 10.7270/Q2W097TR
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50151917
PNG
(CHEMBL3775548)
Show SMILES FC(F)(F)c1cccc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1
Show InChI InChI=1S/C24H23F3N6O/c25-24(26,27)19-3-1-2-18(12-19)17-6-10-32(11-7-17)9-5-16-13-31-33(14-16)22-21-20(4-8-28-22)23(34)30-15-29-21/h1-4,8,12-15,17H,5-7,9-11H2,(H,29,30,34)
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n/an/a 128n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1388-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01635
BindingDB Entry DOI: 10.7270/Q2W097TR
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50153073
PNG
(CHEMBL3775451)
Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(Cc3ccc4OCOc4c3)CC2)cn1
Show InChI InChI=1S/C25H26N6O3/c32-25-20-3-7-26-24(23(20)27-15-28-25)31-14-19(13-29-31)6-10-30-8-4-17(5-9-30)11-18-1-2-21-22(12-18)34-16-33-21/h1-3,7,12-15,17H,4-6,8-11,16H2,(H,27,28,32)
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n/an/a 136n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1388-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01635
BindingDB Entry DOI: 10.7270/Q2W097TR
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50153070
PNG
(CHEMBL3775977)
Show SMILES Clc1ccc(cc1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1
Show InChI InChI=1S/C23H23ClN6O/c24-19-3-1-17(2-4-19)18-7-11-29(12-8-18)10-6-16-13-28-30(14-16)22-21-20(5-9-25-22)23(31)27-15-26-21/h1-5,9,13-15,18H,6-8,10-12H2,(H,26,27,31)
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n/an/a 138n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1388-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01635
BindingDB Entry DOI: 10.7270/Q2W097TR
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50151921
PNG
(CHEMBL3774456)
Show SMILES Fc1cc(F)cc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1
Show InChI InChI=1S/C23H22F2N6O/c24-18-9-17(10-19(25)11-18)16-3-7-30(8-4-16)6-2-15-12-29-31(13-15)22-21-20(1-5-26-22)23(32)28-14-27-21/h1,5,9-14,16H,2-4,6-8H2,(H,27,28,32)
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n/an/a 138n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1388-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01635
BindingDB Entry DOI: 10.7270/Q2W097TR
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50153093
PNG
(CHEMBL3775668)
Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(CC2)c2cccs2)cn1
Show InChI InChI=1S/C21H22N6OS/c28-21-17-3-7-22-20(19(17)23-14-24-21)27-13-15(12-25-27)4-8-26-9-5-16(6-10-26)18-2-1-11-29-18/h1-3,7,11-14,16H,4-6,8-10H2,(H,23,24,28)
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n/an/a 143n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1388-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01635
BindingDB Entry DOI: 10.7270/Q2W097TR
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50153075
PNG
(CHEMBL3774940)
Show SMILES Clc1ccc(CC2CCN(CCc3cnn(c3)-c3nccc4c3nc[nH]c4=O)CC2)cc1Cl
Show InChI InChI=1S/C24H24Cl2N6O/c25-20-2-1-17(12-21(20)26)11-16-4-8-31(9-5-16)10-6-18-13-30-32(14-18)23-22-19(3-7-27-23)24(33)29-15-28-22/h1-3,7,12-16H,4-6,8-11H2,(H,28,29,33)
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n/an/a 144n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1388-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01635
BindingDB Entry DOI: 10.7270/Q2W097TR
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50153094
PNG
(CHEMBL3775277)
Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(CC2)c2ccncc2)cn1
Show InChI InChI=1S/C22H23N7O/c30-22-19-3-9-24-21(20(19)25-15-26-22)29-14-16(13-27-29)4-10-28-11-5-18(6-12-28)17-1-7-23-8-2-17/h1-3,7-9,13-15,18H,4-6,10-12H2,(H,25,26,30)
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n/an/a 145n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1388-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01635
BindingDB Entry DOI: 10.7270/Q2W097TR
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50153077
PNG
(CHEMBL3775040)
Show SMILES Fc1ccc(CC2CCN(CCc3cnn(c3)-c3nccc4c3nc[nH]c4=O)CC2)cc1
Show InChI InChI=1S/C24H25FN6O/c25-20-3-1-17(2-4-20)13-18-6-10-30(11-7-18)12-8-19-14-29-31(15-19)23-22-21(5-9-26-23)24(32)28-16-27-22/h1-5,9,14-16,18H,6-8,10-13H2,(H,27,28,32)
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n/an/a 147n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1388-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01635
BindingDB Entry DOI: 10.7270/Q2W097TR
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50153076
PNG
(CHEMBL3775516)
Show SMILES FC(F)(F)c1ccc(CC2CCN(CCc3cnn(c3)-c3nccc4c3nc[nH]c4=O)CC2)cc1
Show InChI InChI=1S/C25H25F3N6O/c26-25(27,28)20-3-1-17(2-4-20)13-18-6-10-33(11-7-18)12-8-19-14-32-34(15-19)23-22-21(5-9-29-23)24(35)31-16-30-22/h1-5,9,14-16,18H,6-8,10-13H2,(H,30,31,35)
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n/an/a 158n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1388-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01635
BindingDB Entry DOI: 10.7270/Q2W097TR
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50153069
PNG
(CHEMBL3775953)
Show SMILES Fc1ccc(cc1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1
Show InChI InChI=1S/C23H23FN6O/c24-19-3-1-17(2-4-19)18-7-11-29(12-8-18)10-6-16-13-28-30(14-16)22-21-20(5-9-25-22)23(31)27-15-26-21/h1-5,9,13-15,18H,6-8,10-12H2,(H,26,27,31)
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n/an/a 175n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1388-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01635
BindingDB Entry DOI: 10.7270/Q2W097TR
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50153078
PNG
(CHEMBL3774392)
Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(Cc3ccccc3)CC2)cn1
Show InChI InChI=1S/C24H26N6O/c31-24-21-6-10-25-23(22(21)26-17-27-24)30-16-20(15-28-30)9-13-29-11-7-19(8-12-29)14-18-4-2-1-3-5-18/h1-6,10,15-17,19H,7-9,11-14H2,(H,26,27,31)
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n/an/a 181n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1388-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01635
BindingDB Entry DOI: 10.7270/Q2W097TR
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50153181
PNG
(CHEMBL3774692)
Show SMILES Nc1nc(cs1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C9H7N3O2S/c10-9-12-7(4-15-9)6-3-5(8(13)14)1-2-11-6/h1-4H,(H2,10,12)(H,13,14)
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n/an/a 200n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1388-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01635
BindingDB Entry DOI: 10.7270/Q2W097TR
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50152119
PNG
(CHEMBL3775362)
Show SMILES [Li+].[O-]C(=O)c1ccnc(CNCc2ccco2)c1
Show InChI InChI=1S/C12H12N2O3.Li/c15-12(16)9-3-4-14-10(6-9)7-13-8-11-2-1-5-17-11;/h1-6,13H,7-8H2,(H,15,16);/q;+1/p-1
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n/an/a 300n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1388-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01635
BindingDB Entry DOI: 10.7270/Q2W097TR
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50153102
PNG
(CHEMBL3775145)
Show SMILES CN(CCc1cnn(c1)-c1nccc2c1nc[nH]c2=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H18Cl2N6O/c1-27(10-13-2-3-16(21)17(22)8-13)7-5-14-9-26-28(11-14)19-18-15(4-6-23-19)20(29)25-12-24-18/h2-4,6,8-9,11-12H,5,7,10H2,1H3,(H,24,25,29)
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n/an/a 390n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1388-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01635
BindingDB Entry DOI: 10.7270/Q2W097TR
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50149925
PNG
(CHEMBL3770740)
Show SMILES Oc1cc(Oc2nc3cnccc3c(=O)[nH]2)ccc1Cl
Show InChI InChI=1S/C28H30BrN5O5S/c29-21-13-14-25(31-18-21)33-26(35)17-23(28(37)34-15-5-1-2-6-16-34)32-27(36)20-11-9-19(10-12-20)22-7-3-4-8-24(22)40(30,38)39/h3-4,7-14,18,23H,1-2,5-6,15-17H2,(H,32,36)(H2,30,38,39)(H,31,33,35)
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n/an/a 398n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM4A (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 4A


(Homo sapiens (Human))
BDBM50153097
PNG
(CHEMBL3775823)
Show SMILES Clc1ccccc1C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1
Show InChI InChI=1S/C23H23ClN6O/c24-20-4-2-1-3-18(20)17-7-11-29(12-8-17)10-6-16-13-28-30(14-16)22-21-19(5-9-25-22)23(31)27-15-26-21/h1-5,9,13-15,17H,6-8,10-12H2,(H,26,27,31)
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n/an/a 411n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1388-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01635
BindingDB Entry DOI: 10.7270/Q2W097TR
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50153095
PNG
(CHEMBL3774457)
Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(CC2)c2ccccc2)cn1
Show InChI InChI=1S/C23H24N6O/c30-23-20-6-10-24-22(21(20)25-16-26-23)29-15-17(14-27-29)7-11-28-12-8-19(9-13-28)18-4-2-1-3-5-18/h1-6,10,14-16,19H,7-9,11-13H2,(H,25,26,30)
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n/an/a 456n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1388-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01635
BindingDB Entry DOI: 10.7270/Q2W097TR
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(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 501n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM4A (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 4A


(Homo sapiens (Human))
BDBM50153074
PNG
(CHEMBL3775465)
Show SMILES COc1cccc(CC2CCN(CCc3cnn(c3)-c3nccc4c3nc[nH]c4=O)CC2)c1
Show InChI InChI=1S/C25H28N6O2/c1-33-21-4-2-3-19(14-21)13-18-6-10-30(11-7-18)12-8-20-15-29-31(16-20)24-23-22(5-9-26-24)25(32)28-17-27-23/h2-5,9,14-18H,6-8,10-13H2,1H3,(H,27,28,32)
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n/an/a 540n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1388-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01635
BindingDB Entry DOI: 10.7270/Q2W097TR
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM264047
PNG
(2-[5-[(2,4- dimethylphenyl)methoxy]pyrazol- 1-yl]p...)
Show SMILES Cc1ccc(COc2ccnn2-c2cc(ccn2)C(O)=O)c(C)c1
Show InChI InChI=1S/C18H17N3O3/c1-12-3-4-15(13(2)9-12)11-24-17-6-8-20-21(17)16-10-14(18(22)23)5-7-19-16/h3-10H,11H2,1-2H3,(H,22,23)
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Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2A was determined in 384-well plate format under the following reaction conditions: 2 nM...


US Patent US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264048
PNG
(2-[5-[(2-methoxy-4- methylphenyl)methoxy]pyrazol-1...)
Show SMILES COc1cc(C)ccc1COc1ccnn1-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C18H17N3O4/c1-12-3-4-14(15(9-12)24-2)11-25-17-6-8-20-21(17)16-10-13(18(22)23)5-7-19-16/h3-10H,11H2,1-2H3,(H,22,23)
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Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2A was determined in 384-well plate format under the following reaction conditions: 2 nM...


US Patent US9714230 (2017)

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


(Homo sapiens (Human))
BDBM263932
PNG
(2-(3-cyclopropyl-5-hydroxy-1H- pyrazol-1-yl)isonic...)
Show SMILES OC(=O)c1ccnc(c1)-n1nc(cc1O)C1CC1
Show InChI InChI=1S/C12H11N3O3/c16-11-6-9(7-1-2-7)14-15(11)10-5-8(12(17)18)3-4-13-10/h3-7,16H,1-2H2,(H,17,18)
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Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2A was determined in 384-well plate format under the following reaction conditions: 2 nM...


US Patent US9714230 (2017)

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


(Homo sapiens (Human))
BDBM263942
PNG
(2-(5-p-tolyl-1H-pyrazol-1- yl)isonicotinic acid | ...)
Show SMILES Cc1ccc(cc1)-c1ccnn1-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C16H13N3O2/c1-11-2-4-12(5-3-11)14-7-9-18-19(14)15-10-13(16(20)21)6-8-17-15/h2-10H,1H3,(H,20,21)
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Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2A was determined in 384-well plate format under the following reaction conditions: 2 nM...


US Patent US9714230 (2017)

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


(Homo sapiens (Human))
BDBM263944
PNG
(2-(5-(2,4-difluorophenyl)-1H- pyrazol-1-yl)isonico...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1-c1ccc(F)cc1F
Show InChI InChI=1S/C15H9F2N3O2/c16-10-1-2-11(12(17)8-10)13-4-6-19-20(13)14-7-9(15(21)22)3-5-18-14/h1-8H,(H,21,22)
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Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2A was determined in 384-well plate format under the following reaction conditions: 2 nM...


US Patent US9714230 (2017)

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


(Homo sapiens (Human))
BDBM263949
PNG
(2-(5-(3-hydroxyphenyl)-1H- pyrazol-1-yl)isonicotin...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1-c1cccc(O)c1
Show InChI InChI=1S/C15H11N3O3/c19-12-3-1-2-10(8-12)13-5-7-17-18(13)14-9-11(15(20)21)4-6-16-14/h1-9,19H,(H,20,21)
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Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2A was determined in 384-well plate format under the following reaction conditions: 2 nM...


US Patent US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264045
PNG
(2-[5-[(2-chloro-4- methylphenyl)methoxy]pyrazol-1-...)
Show SMILES Cc1ccc(COc2ccnn2-c2cc(ccn2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C17H14ClN3O3/c1-11-2-3-13(14(18)8-11)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 Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2A was determined in 384-well plate format under the following reaction conditions: 2 nM...


US Patent US9714230 (2017)

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


(Homo sapiens (Human))
BDBM263970
PNG
(2-(3-phenethyl-1H-pyrazol-1- yl)isonicotinic acid ...)
Show SMILES OC(=O)c1ccnc(c1)-n1ccc(CCc2ccccc2)n1
Show InChI InChI=1S/C17H15N3O2/c21-17(22)14-8-10-18-16(12-14)20-11-9-15(19-20)7-6-13-4-2-1-3-5-13/h1-5,8-12H,6-7H2,(H,21,22)
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Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2A was determined in 384-well plate format under the following reaction conditions: 2 nM...


US Patent US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264033
PNG
(2-[5-[[4-fluoro-2-[(4- fluorophenyl)methoxy]phenyl...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(F)cc1OCc1ccc(F)cc1
Show InChI InChI=1S/C23H17F2N3O4/c24-18-4-1-15(2-5-18)13-31-20-12-19(25)6-3-17(20)14-32-22-8-10-27-28(22)21-11-16(23(29)30)7-9-26-21/h1-12H,13-14H2,(H,29,30)
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Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2A was determined in 384-well plate format under the following reaction conditions: 2 nM...


US Patent US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264055
PNG
(2-[5-[[4-chloro-3- (cyclopropylmethoxy)phenyl] met...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(Cl)c(OCC2CC2)c1
Show InChI InChI=1S/C20H18ClN3O4/c21-16-4-3-14(9-17(16)27-11-13-1-2-13)12-28-19-6-8-23-24(19)18-10-15(20(25)26)5-7-22-18/h3-10,13H,1-2,11-12H2,(H,25,26)
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Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2A was determined in 384-well plate format under the following reaction conditions: 2 nM...


US Patent US9714230 (2017)

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


(Homo sapiens (Human))
BDBM50153072
PNG
(CHEMBL3775956)
Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(Cc3cccnc3)CC2)cn1
Show InChI InChI=1S/C23H25N7O/c31-23-20-3-8-25-22(21(20)26-16-27-23)30-15-19(14-28-30)6-11-29-9-4-17(5-10-29)12-18-2-1-7-24-13-18/h1-3,7-8,13-17H,4-6,9-12H2,(H,26,27,31)
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Similars

Article
PubMed
n/an/a 600n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1388-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01635
BindingDB Entry DOI: 10.7270/Q2W097TR
More data for this
Ligand-Target Pair
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