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Compile Data Set for Download or QSAR

Found 46 hits with Last Name = 'komaarashi' and Initial = 'h'   
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 4C


(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 1.00E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2C 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 4C


(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 1.30E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2C 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
Egl nine homolog 2


(Homo sapiens (Human))
BDBM26113
PNG
(2,4 PDCA | cid_10365 | pyridine carboxylate, 6a | ...)
Show SMILES OC(=O)c1ccnc(c1)C(O)=O
Show InChI InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PHD1 expressed in Sf9 cells by time-resolved fluorescence 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 4C


(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 1.50E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2C 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 4C


(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 1.60E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2C 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 4C


(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 1.70E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2C 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 4C


(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 2.00E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2C 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
Egl nine homolog 2


(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 2.10E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PHD1 expressed in Sf9 cells by time-resolved fluorescence 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 4C


(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 2.70E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2C 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))
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))
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
3D
3D Structure (crystal)
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 4C


(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 5.20E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2C 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
Egl nine homolog 1


(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 5.60E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PHD2 expressed in Sf9 cells by time-resolved fluorescence 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
Egl nine homolog 1


(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 6.10E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PHD2 expressed in Sf9 cells by time-resolved fluorescence 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))
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 4C


(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 8.80E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2C 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 4C


(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 9.40E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2C 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 4C


(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 1.00E+4n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2C 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))
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 4C


(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 1.50E+4n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2C 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))
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 4C


(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 3.40E+4n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2C 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 4C


(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 7.40E+4n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2C 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
Egl nine homolog 1


(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>1.00E+5n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PHD2 expressed in Sf9 cells by time-resolved fluorescence 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
Egl nine homolog 2


(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>1.00E+5n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PHD1 expressed in Sf9 cells by time-resolved fluorescence 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
Egl nine homolog 1


(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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Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PHD2 expressed in Sf9 cells by time-resolved fluorescence 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
Egl nine homolog 2


(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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Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PHD1 expressed in Sf9 cells by time-resolved fluorescence 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
Egl nine homolog 2


(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>1.00E+5n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PHD1 expressed in Sf9 cells by time-resolved fluorescence 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
Egl nine homolog 2


(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>1.00E+5n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PHD1 expressed in Sf9 cells by time-resolved fluorescence 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
Egl nine homolog 1


(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>1.00E+5n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PHD2 expressed in Sf9 cells by time-resolved fluorescence 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
Egl nine homolog 2


(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>1.00E+5n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PHD1 expressed in Sf9 cells by time-resolved fluorescence 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
Egl nine homolog 1


(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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Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PHD2 expressed in Sf9 cells by time-resolved fluorescence 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
Egl nine homolog 1


(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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Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PHD2 expressed in Sf9 cells by time-resolved fluorescence 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
Egl nine homolog 2


(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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Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PHD1 expressed in Sf9 cells by time-resolved fluorescence 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
Egl nine homolog 1


(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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Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PHD2 expressed in Sf9 cells by time-resolved fluorescence 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))
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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Article
PubMed
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
3D
3D Structure (crystal)
Lysine-specific demethylase 4C


(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)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 5.00E+5n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2C 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