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Compile Data Set for Download or QSAR

Found 75 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific demethylase 4A'   
Target
(Institution)
LigandTarget
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)
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 800n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of KDM4A (unknown origin) using H3K9me3 peptide and 2-oxoglutarate as substrate after 1 hr by FDH-coupled assay


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


(Homo sapiens)
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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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)

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


(Homo sapiens)
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 1.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JMJD2A catalytic domain by mass spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 4A


(Homo sapiens)
BDBM50361473
PNG
(CHEMBL1435274)
Show SMILES OC(=O)c1ccnc2c(O)cccc12
Show InChI InChI=1S/C10H7NO3/c12-8-3-1-2-6-7(10(13)14)4-5-11-9(6)8/h1-5,12H,(H,13,14)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of KDM4A


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 4A


(Homo sapiens)
BDBM50133292
PNG
(CHEMBL3634950)
Show SMILES CCN(CC)C(=O)c1ccc2c(ccc(O)c2n1)C(O)=O
Show InChI InChI=1S/C15H16N2O4/c1-3-17(4-2)14(19)11-7-5-9-10(15(20)21)6-8-12(18)13(9)16-11/h5-8,18H,3-4H2,1-2H3,(H,20,21)
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n/an/a 1.80E+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)

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


(Homo sapiens)
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


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


(Homo sapiens)
BDBM50436039
PNG
(CHEMBL2392185)
Show SMILES NCc1ccc(CNCCCCN(O)C(=O)\C=C\C(O)=O)cc1
Show InChI InChI=1S/C16H23N3O4/c17-11-13-3-5-14(6-4-13)12-18-9-1-2-10-19(23)15(20)7-8-16(21)22/h3-8,18,23H,1-2,9-12,17H2,(H,21,22)/b8-7+
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Colorado

Curated by ChEMBL


Assay Description
Inhibition of JMJD2A (unknown origin)


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


(Homo sapiens)
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)

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


(Homo sapiens)
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



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of KDM4A


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


(Homo sapiens)
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


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


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 4A


(Homo sapiens)
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


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


(Homo sapiens)
BDBM50361476
PNG
(CHEMBL583959)
Show SMILES S=C(SSC(=S)N1CCCC1)N1CCCC1
Show InChI InChI=1S/C10H16N2S4/c13-9(11-5-1-2-6-11)15-16-10(14)12-7-3-4-8-12/h1-8H2
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n/an/a 3.30E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of KDM4A


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


(Homo sapiens)
BDBM50361475
PNG
(CHEMBL1938900)
Show SMILES ON(CCCCNCc1ccc(COC(=O)Nc2cccc3ccccc23)cc1)C(=O)C=CC(O)=O
Show InChI InChI=1S/C27H29N3O6/c31-25(14-15-26(32)33)30(35)17-4-3-16-28-18-20-10-12-21(13-11-20)19-36-27(34)29-24-9-5-7-22-6-1-2-8-23(22)24/h1-2,5-15,28,35H,3-4,16-19H2,(H,29,34)(H,32,33)
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n/an/a 3.30E+3n/an/an/an/an/an/a



University of Colorado

Curated by ChEMBL


Assay Description
Inhibition of JMJD2A (unknown origin)


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


(Homo sapiens)
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)

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


(Homo sapiens)
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



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of KDM4A (unknown origin) using H3K9me3 peptide and 2-oxoglutarate as substrate after 1 hr by FDH-coupled assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 4A


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 4A


(Homo sapiens)
BDBM50361475
PNG
(CHEMBL1938900)
Show SMILES ON(CCCCNCc1ccc(COC(=O)Nc2cccc3ccccc23)cc1)C(=O)C=CC(O)=O
Show InChI InChI=1S/C27H29N3O6/c31-25(14-15-26(32)33)30(35)17-4-3-16-28-18-20-10-12-21(13-11-20)19-36-27(34)29-24-9-5-7-22-6-1-2-8-23(22)24/h1-2,5-15,28,35H,3-4,16-19H2,(H,29,34)(H,32,33)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of KDM4A


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


(Homo sapiens)
BDBM50361475
PNG
(CHEMBL1938900)
Show SMILES ON(CCCCNCc1ccc(COC(=O)Nc2cccc3ccccc23)cc1)C(=O)C=CC(O)=O
Show InChI InChI=1S/C27H29N3O6/c31-25(14-15-26(32)33)30(35)17-4-3-16-28-18-20-10-12-21(13-11-20)19-36-27(34)29-24-9-5-7-22-6-1-2-8-23(22)24/h1-2,5-15,28,35H,3-4,16-19H2,(H,29,34)(H,32,33)
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n/an/a 4.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JMJD2A


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


(Homo sapiens)
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


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


(Homo sapiens)
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)

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


(Homo sapiens)
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


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


(Homo sapiens)
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


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


(Homo sapiens)
BDBM50133294
PNG
(CHEMBL3634948)
Show SMILES Cc1ccc(NC(=O)c2ccc3c(ccc(O)c3n2)C(O)=O)nc1
Show InChI InChI=1S/C17H13N3O4/c1-9-2-7-14(18-8-9)20-16(22)12-5-3-10-11(17(23)24)4-6-13(21)15(10)19-12/h2-8,21H,1H3,(H,23,24)(H,18,20,22)
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n/an/a 6.20E+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)

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


(Homo sapiens)
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...


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


(Homo sapiens)
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


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


(Homo sapiens)
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


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


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Lysine-specific demethylase 4A


(Homo sapiens)
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


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


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Lysine-specific demethylase 4A


(Homo sapiens)
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



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of KDM4A


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Lysine-specific demethylase 4A


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Lysine-specific demethylase 4A


(Homo sapiens)
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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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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Lysine-specific demethylase 4A


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Lysine-specific demethylase 4A


(Homo sapiens)
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


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


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Lysine-specific demethylase 4A


(Homo sapiens)
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


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


(Homo sapiens)
BDBM50133295
PNG
(CHEMBL3634947)
Show SMILES OC(=O)c1ccc(O)c2nc(ccc12)C(=O)Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C18H12N4O4/c23-14-8-6-10(17(25)26)9-5-7-13(19-15(9)14)16(24)22-18-20-11-3-1-2-4-12(11)21-18/h1-8,23H,(H,25,26)(H2,20,21,22,24)
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n/an/a 1.90E+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)

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


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Lysine-specific demethylase 4A


(Homo sapiens)
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


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


(Homo sapiens)
BDBM50436040
PNG
(CHEMBL2392184)
Show SMILES NCc1ccc(CN(CCCCN(O)C(=O)C=CC([O-])=O)C(=S)Nc2ccc(c(c2)C([O-])=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)cc1
Show InChI InChI=1S/C37H34N4O9S/c38-20-22-3-5-23(6-4-22)21-40(15-1-2-16-41(49)33(44)13-14-34(45)46)37(51)39-24-7-10-27(30(17-24)36(47)48)35-28-11-8-25(42)18-31(28)50-32-19-26(43)9-12-29(32)35/h3-14,17-19,42,49H,1-2,15-16,20-21,38H2,(H,39,51)(H,45,46)(H,47,48)/p-2
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n/an/a 2.35E+4n/an/an/an/an/an/a



University of Colorado

Curated by ChEMBL


Assay Description
Inhibition of JMJD2A (unknown origin)


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


(Homo sapiens)
BDBM50361471
PNG
(CHEMBL1614745)
Show SMILES O[C@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m1/s1
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n/an/a 2.40E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of KDM4A


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 4A


(Homo sapiens)
BDBM50133293
PNG
(CHEMBL3634949)
Show SMILES OC(=O)c1ccc(O)c2nc(ccc12)C(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C21H17N3O4/c25-18-8-6-15(21(27)28)14-5-7-17(24-19(14)18)20(26)22-10-9-12-11-23-16-4-2-1-3-13(12)16/h1-8,11,23,25H,9-10H2,(H,22,26)(H,27,28)
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n/an/a 2.40E+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)

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


(Homo sapiens)
BDBM50434380
PNG
(CHEMBL2387280)
Show SMILES CCC[C@@]1(NC(=O)N(CC(=O)N(C)Cc2c(F)cccc2Cl)C1=O)c1ccccc1
Show InChI InChI=1S/C22H23ClFN3O3/c1-3-12-22(15-8-5-4-6-9-15)20(29)27(21(30)25-22)14-19(28)26(2)13-16-17(23)10-7-11-18(16)24/h4-11H,3,12-14H2,1-2H3,(H,25,30)/t22-/m1/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of JMJD2A tudor domain (unknown origin) using histone H4 peptide trimethylated on lysine 20 as substrate


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


(Homo sapiens)
BDBM50344962
PNG
((2S)-2-HYDROXYPENTANEDIOIC ACID | CHEMBL1615211 | ...)
Show SMILES O[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m0/s1
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n/an/a 2.60E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of KDM4A


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 4A


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 4A


(Homo sapiens)
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)

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


(Homo sapiens)
BDBM50440285
PNG
(CHEMBL2424816)
Show SMILES ON(CCC(O)=O)C(=O)CCCCCCCCc1ccccc1
Show InChI InChI=1S/C18H27NO4/c20-17(19(23)15-14-18(21)22)13-9-4-2-1-3-6-10-16-11-7-5-8-12-16/h5,7-8,11-12,23H,1-4,6,9-10,13-15H2,(H,21,22)
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n/an/a 6.50E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of KDM4A (unknown origin) using H3K9me3 peptide and 2-oxoglutarate as substrate after 1 hr by FDH-coupled assay


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


(Homo sapiens)
BDBM50133291
PNG
(CHEMBL3634951)
Show SMILES OC(=O)c1ccc(O)c2nc(ccc12)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C18H21N3O5/c22-15-5-3-13(18(24)25)12-2-4-14(20-16(12)15)17(23)19-6-1-7-21-8-10-26-11-9-21/h2-5,22H,1,6-11H2,(H,19,23)(H,24,25)
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n/an/a 8.20E+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)

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


(Homo sapiens)
BDBM50440292
PNG
(CHEMBL2424809)
Show SMILES CC(C)CCCCCCCCC(=O)N(O)CCC(O)=O
Show InChI InChI=1S/C15H29NO4/c1-13(2)9-7-5-3-4-6-8-10-14(17)16(20)12-11-15(18)19/h13,20H,3-12H2,1-2H3,(H,18,19)
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n/an/a 9.20E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of KDM4A (unknown origin) using H3K9me3 peptide and 2-oxoglutarate as substrate after 1 hr by FDH-coupled assay


Citation and Details
More data for this
Ligand-Target Pair
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