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Compile Data Set for Download or QSAR

Found 74 hits of affinity data for UniProtKB/TrEMBL: B2RXH2   
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
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM60917
PNG
(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12
Show InChI InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2
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PubMed
1.92E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Non-competitive inhibition of JMJD2E relative to alpha-ketoglutarate


Citation and Details
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM50418773
PNG
(CARBIDOPA)
Show SMILES C[C@@](Cc1ccc(O)c(O)c1)(NN)C(O)=O
Show InChI InChI=1S/C10H14N2O4/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6/h2-4,12-14H,5,11H2,1H3,(H,15,16)/t10-/m0/s1
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1.98E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of JMJD2E relative to alpha-ketoglutarate


Citation and Details
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM81348
PNG
(β-Lapachone (A3) | R115 (Reactive Blue 2))
Show SMILES CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O
Show InChI InChI=1S/C15H14O3/c1-15(2)8-7-11-13(17)12(16)9-5-3-4-6-10(9)14(11)18-15/h3-6H,7-8H2,1-2H3
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3.55E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Non-competitive inhibition of JMJD2E relative to alpha-ketoglutarate


Citation and Details
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM50009001
PNG
(5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...)
Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1
Show InChI InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
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4.33E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Non-competitive inhibition of JMJD2E relative to alpha-ketoglutarate


Citation and Details
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM26113
PNG
(2,4 PDCA | cid_10365 | pyridine carboxylate, 6a | ...)
Show SMILES OC(=O)c1ccnc(c1)C(O)=O
Show InChI InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
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9.14E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of JMJD2E


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM50153318
PNG
(CHEMBL3775237)
Show SMILES OC(=O)c1ccncc1NCc1ccco1
Show InChI InChI=1S/C11H10N2O3/c14-11(15)9-3-4-12-7-10(9)13-6-8-2-1-5-16-8/h1-5,7,13H,6H2,(H,14,15)
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


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


J Med Chem 59: 1357-69 (2016)

More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM50153322
PNG
(CHEMBL3775612)
Show SMILES OC(=O)c1ccncc1NCc1ccccc1
Show InChI InChI=1S/C13H12N2O2/c16-13(17)11-6-7-14-9-12(11)15-8-10-4-2-1-3-5-10/h1-7,9,15H,8H2,(H,16,17)
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


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


J Med Chem 59: 1357-69 (2016)

More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM50153319
PNG
(CHEMBL3775889)
Show SMILES Cc1ccsc1CNc1cnccc1C(O)=O
Show InChI InChI=1S/C12H12N2O2S/c1-8-3-5-17-11(8)7-14-10-6-13-4-2-9(10)12(15)16/h2-6,14H,7H2,1H3,(H,15,16)
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n/an/a 50n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


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


J Med Chem 59: 1357-69 (2016)

More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM50396019
PNG
(4'-(phenethylcarbamoyl)-[2,2'-bipyridine]-...)
Show SMILES OC(=O)c1ccnc(c1)-c1cc(ccn1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C20H17N3O3/c24-19(23-9-6-14-4-2-1-3-5-14)15-7-10-21-17(12-15)18-13-16(20(25)26)8-11-22-18/h1-5,7-8,10-13H,6,9H2,(H,23,24)(H,25,26)
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n/an/a 110n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JMJD2E catalytic domain by mass spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM50149925
PNG
(CHEMBL3770740)
Show SMILES Oc1cc(Oc2nc3cnccc3c(=O)[nH]2)ccc1Cl
Show InChI InChI=1S/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 126n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


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


J Med Chem 59: 1370-87 (2016)

More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM50396020
PNG
(CHEMBL1615036)
Show SMILES NCCNC(=O)c1ccnc(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C14H14N4O3/c15-3-6-18-13(19)9-1-4-16-11(7-9)12-8-10(14(20)21)2-5-17-12/h1-2,4-5,7-8H,3,6,15H2,(H,18,19)(H,20,21)
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n/an/a 180n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JMJD2E catalytic domain by mass spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM50395083
PNG
(CHEMBL2164246)
Show SMILES NNC(=O)CCC(O)=O
Show InChI InChI=1S/C4H8N2O3/c5-6-3(7)1-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)
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n/an/a 200n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


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



University of Oxford

Curated by ChEMBL


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


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM50149924
PNG
(CHEMBL3769511)
Show SMILES CC(C)c1ccc(Oc2nc3cnccc3c(=O)[nH]2)cn1
Show InChI InChI=1S/C22H20ClN3O4S/c23-17-9-5-16(6-10-17)22(28)25-14-13-21(27)26-18-11-7-15(8-12-18)19-3-1-2-4-20(19)31(24,29)30/h1-12H,13-14H2,(H,25,28)(H,26,27)(H2,24,29,30)
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n/an/a 398n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


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


J Med Chem 59: 1370-87 (2016)

More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM50149920
PNG
(CHEMBL3769724)
Show SMILES O=c1[nH]c(Oc2cnn(c2)C2CCCC2)nc2cnccc12
Show InChI InChI=1S/C27H32BrN7O3/c1-33(2)18-24-29-12-15-35(24)21-9-6-19(7-10-21)26(37)31-22(27(38)34-13-4-3-5-14-34)16-25(36)32-23-11-8-20(28)17-30-23/h6-12,15,17,22H,3-5,13-14,16,18H2,1-2H3,(H,31,37)(H,30,32,36)/t22-/m1/s1
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n/an/a 398n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


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


J Med Chem 59: 1370-87 (2016)

More data for this
Ligand-Target Pair
Histone Lysine Demethylase


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



University of Oxford

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


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



GlaxoSmithKline R&D

Curated by ChEMBL


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


J Med Chem 59: 1370-87 (2016)

More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM50149917
PNG
(CHEMBL3771198)
Show SMILES O=c1[nH]c(Oc2cnn(CC3CCCCC3)c2)nc2cnccc12
Show InChI InChI=1S/C23H21BrN4O6S/c1-34-23(31)18(12-21(29)28-20-11-10-16(24)13-26-20)27-22(30)15-8-6-14(7-9-15)17-4-2-3-5-19(17)35(25,32)33/h2-11,13,18H,12H2,1H3,(H,27,30)(H2,25,32,33)(H,26,28,29)
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n/an/a 501n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


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


J Med Chem 59: 1370-87 (2016)

More data for this
Ligand-Target Pair
Histone Lysine Demethylase


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



GlaxoSmithKline R&D

Curated by ChEMBL


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


J Med Chem 59: 1370-87 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone Lysine Demethylase


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



University of Oxford



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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone Lysine Demethylase


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



University of Oxford

Curated by ChEMBL


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


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
Histone Lysine Demethylase


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


TBA

Assay Description
Inhibition of JMJD2E catalytic domain by mass spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


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


TBA

Assay Description
Inhibition of human JMJD2E


Citation and Details
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


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



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of JMJD2E


Citation and Details
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


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



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of JMJD2E


Citation and Details
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


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



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of JMJD2E


Citation and Details
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM50395078
PNG
(CHEMBL2164245)
Show SMILES CNNC(=O)CCC(O)=O
Show InChI InChI=1S/C5H10N2O3/c1-6-7-4(8)2-3-5(9)10/h6H,2-3H2,1H3,(H,7,8)(H,9,10)
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n/an/a 4.30E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM26110
PNG
(N,3-dihydroxybenzamide | aromatic hydroxamic acid,...)
Show SMILES ONC(=O)c1cccc(O)c1
Show InChI InChI=1S/C7H7NO3/c9-6-3-1-2-5(4-6)7(10)8-11/h1-4,9,11H,(H,8,10)
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n/an/a 4.80E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of JMJD2E pre-incubated for 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM50306585
PNG
((R)-2-(carboxyformamido)-3-(4-(4-fluorophenylsulfo...)
Show SMILES OC(=O)[C@@H](Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)NC(=O)C(O)=O
Show InChI InChI=1S/C17H14FNO8S/c18-11-3-7-13(8-4-11)28(25,26)27-12-5-1-10(2-6-12)9-14(16(21)22)19-15(20)17(23)24/h1-8,14H,9H2,(H,19,20)(H,21,22)(H,23,24)/t14-/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to JMJD2E


Citation and Details
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM50158849
PNG
(CHEMBL3785164)
Show SMILES Cc1ccsc1C(NC(=O)c1ccccc1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1/C22H17ClN2O2S/c1-13-9-11-28-21(13)19(25-22(27)14-6-3-2-4-7-14)16-12-17(23)15-8-5-10-24-18(15)20(16)26/h2-12,19,26H,1H3,(H,25,27)
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM4E (unknown origin) preincubated for 15 mins followed by histone substrate addition measured after 1 hr by alphascreen assay


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM50306581
PNG
((R)-3-(4-(4-tert-butylphenylsulfonyloxy)phenyl)-2-...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Oc1ccc(C[C@@H](NC(=O)C(O)=O)C(O)=O)cc1
Show InChI InChI=1S/C21H23NO8S/c1-21(2,3)14-6-10-16(11-7-14)31(28,29)30-15-8-4-13(5-9-15)12-17(19(24)25)22-18(23)20(26)27/h4-11,17H,12H2,1-3H3,(H,22,23)(H,24,25)(H,26,27)/t17-/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to JMJD2E


Citation and Details
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM50306580
PNG
((R)-3-(4-(4-bromophenylsulfonyloxy)phenyl)-2-(carb...)
Show SMILES OC(=O)[C@@H](Cc1ccc(OS(=O)(=O)c2ccc(Br)cc2)cc1)NC(=O)C(O)=O
Show InChI InChI=1S/C17H14BrNO8S/c18-11-3-7-13(8-4-11)28(25,26)27-12-5-1-10(2-6-12)9-14(16(21)22)19-15(20)17(23)24/h1-8,14H,9H2,(H,19,20)(H,21,22)(H,23,24)/t14-/m1/s1
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n/an/a 5.40E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to JMJD2E


Citation and Details
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (human))
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 5.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JMJD2E


Citation and Details
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM26119
PNG
(2-[4-(methoxycarbonyl)pyridin-2-yl]pyridine-4-carb...)
Show SMILES COC(=O)c1ccnc(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C13H10N2O4/c1-19-13(18)9-3-5-15-11(7-9)10-6-8(12(16)17)2-4-14-10/h2-7H,1H3,(H,16,17)
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n/an/a 6.60E+3n/an/an/an/a7.537



University of Oxford



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


Citation and Details
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM223317
PNG
(KDOAM-1)
Show SMILES OC(=O)c1ccnc(CN2CCNCC2)c1
Show InChI InChI=1S/C11H15N3O2/c15-11(16)9-1-2-13-10(7-9)8-14-5-3-12-4-6-14/h1-2,7,12H,3-6,8H2,(H,15,16)
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Oxford





Citation and Details
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM50163389
PNG
(CHEMBL3793278)
Show SMILES NNc1nccc(n1)C(O)=O
Show InChI InChI=1S/C5H6N4O2/c6-9-5-7-2-1-3(8-5)4(10)11/h1-2H,6H2,(H,10,11)(H,7,8,9)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM4E (unknown origin) using substrate peptide/ascorbate/2-OG/ Fe(2) as substrate preincubated for 15 mins followed by addition of subs...


Bioorg Med Chem Lett 26: 2284-8 (2016)

More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of JMJD2E pre-incubated for 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM50193145
PNG
(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Show SMILES OC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1O
Show InChI InChI=1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17)
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n/an/a>2.00E+4n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


Citation and Details
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM50197063
PNG
(4,6-dioxoheptanoic acid | CHEMBL222824 | succinyla...)
Show SMILES CC(=O)CC(=O)CCC(O)=O
Show InChI InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11)
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n/an/a 2.39E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM26120
PNG
(pyrimidine analogue, 8 | pyrimidine-4,6-dicarboxyl...)
Show SMILES OC(=O)c1cc(ncn1)C(O)=O
Show InChI InChI=1S/C6H4N2O4/c9-5(10)3-1-4(6(11)12)8-2-7-3/h1-2H,(H,9,10)(H,11,12)
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n/an/a 2.70E+4n/an/an/an/a7.537



University of Oxford



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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM26110
PNG
(N,3-dihydroxybenzamide | aromatic hydroxamic acid,...)
Show SMILES ONC(=O)c1cccc(O)c1
Show InChI InChI=1S/C7H7NO3/c9-6-3-1-2-5(4-6)7(10)8-11/h1-4,9,11H,(H,8,10)
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n/an/a 2.80E+4n/an/an/an/a7.537



University of Oxford



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


Citation and Details
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM26110
PNG
(N,3-dihydroxybenzamide | aromatic hydroxamic acid,...)
Show SMILES ONC(=O)c1cccc(O)c1
Show InChI InChI=1S/C7H7NO3/c9-6-3-1-2-5(4-6)7(10)8-11/h1-4,9,11H,(H,8,10)
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n/an/a 2.80E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of JMJD2E


Citation and Details
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 2.80E+4n/an/an/an/a7.537



University of Oxford



Assay Description
For compounds which were shown to inhibit FDH, a MALDI-TOF-MS inhibition assay was employed. After incubation, the diluted assay mixture was then mix...


Citation and Details
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM50158888
PNG
(CHEMBL3785984)
Show SMILES CCCCCCCCOC(=O)c1ccc(O)c2ncccc12
Show InChI InChI=1S/C18H23NO3/c1-2-3-4-5-6-7-13-22-18(21)15-10-11-16(20)17-14(15)9-8-12-19-17/h8-12,20H,2-7,13H2,1H3
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n/an/a 4.50E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM4E (unknown origin) after 24 hrs by alphascreen assay


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(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 7.80E+4n/an/an/an/a7.537



University of Oxford



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


Citation and Details
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM103845
PNG
(4HQ derivative 8)
Show SMILES CCCCCCCc1nc(C(=O)NCC(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C19H24N2O4/c1-2-3-4-5-6-11-15-13-9-7-8-10-14(13)18(24)17(21-15)19(25)20-12-16(22)23/h7-10,24H,2-6,11-12H2,1H3,(H,20,25)(H,22,23)
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n/an/a 9.90E+4n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


Citation and Details
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM50149911
PNG
(CHEMBL3770732)
Show SMILES O=c1[nH]c(Oc2cnn(Cc3ccccc3)c2)nc2ncccc12
Show InChI InChI=1S/C17H13N5O2/c23-16-14-7-4-8-18-15(14)20-17(21-16)24-13-9-19-22(11-13)10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,18,20,21,23)
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n/an/a<1.00E+5n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


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


J Med Chem 59: 1370-87 (2016)

More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM103844
PNG
(4HQ derivative 7)
Show SMILES OC(=O)CNC(=O)c1nc(CC=C)c2ccccc2c1O
Show InChI InChI=1S/C15H14N2O4/c1-2-5-11-9-6-3-4-7-10(9)14(20)13(17-11)15(21)16-8-12(18)19/h2-4,6-7,20H,1,5,8H2,(H,16,21)(H,18,19)
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n/an/a>1.00E+5n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


Citation and Details
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM103843
PNG
(4HQ derivative 6)
Show SMILES OC(=O)CNC(=O)c1nc(Cc2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C19H16N2O4/c22-16(23)11-20-19(25)17-18(24)14-9-5-4-8-13(14)15(21-17)10-12-6-2-1-3-7-12/h1-9,24H,10-11H2,(H,20,25)(H,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/a>1.00E+5n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


Citation and Details
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM103842
PNG
(4HQ derivative 4)
Show SMILES Cc1nc(C(=O)NCC(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C13H12N2O4/c1-7-8-4-2-3-5-9(8)12(18)11(15-7)13(19)14-6-10(16)17/h2-5,18H,6H2,1H3,(H,14,19)(H,16,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a>1.00E+5n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


Citation and Details
More data for this
Ligand-Target Pair
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