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PubMed code 27020306

Compile data set for download or QSAR
Found 18 hits of Enzyme Inhibition Constant Data   
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 5A


(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 220n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (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
Probable JmjC domain-containing histone demethylation protein 2C


(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 1.90E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM3C (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
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50163393
PNG
(CHEMBL3793435)
Show SMILES Oc1ccccc1\C=N\Nc1ncc(F)c(n1)N1CCOCC1
Show InChI InChI=1S/C15H16FN5O2/c16-12-10-17-15(19-14(12)21-5-7-23-8-6-21)20-18-9-11-3-1-2-4-13(11)22/h1-4,9-10,22H,5-8H2,(H,17,19,20)/b18-9+
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n/an/a 2.30E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (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
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50343530
PNG
(5,7-dichloro-4-((3-(4-methoxyphenylthio)benzyl)(me...)
Show SMILES COc1ccc(Sc2cccc(CN(C)c3cc(nc4cc(Cl)cc(Cl)c34)C(O)=O)c2)cc1
Show InChI InChI=1S/C25H20Cl2N2O3S/c1-29(23-13-22(25(30)31)28-21-12-16(26)11-20(27)24(21)23)14-15-4-3-5-19(10-15)33-18-8-6-17(32-2)7-9-18/h3-13H,14H2,1-2H3,(H,30,31)
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n/an/a 3.80E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (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
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50163387
PNG
(CHEMBL3794377)
Show SMILES Oc1cc(OCC(=O)OCc2ccccc2)cc2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C24H18O6/c25-19-11-18(28-15-23(27)29-14-16-7-3-1-4-8-16)12-22-24(19)20(26)13-21(30-22)17-9-5-2-6-10-17/h1-13,25H,14-15H2
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n/an/a 4.20E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (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
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50163392
PNG
(CHEMBL1808018)
Show SMILES Cc1ccc(cc1)C(=O)c1coc2C=C(Br)C(=O)C(=O)c12 |t:14|
Show InChI InChI=1S/C16H9BrO4/c1-8-2-4-9(5-3-8)14(18)10-7-21-12-6-11(17)15(19)16(20)13(10)12/h2-7H,1H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (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
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50163390
PNG
(CHEMBL3793690)
Show SMILES O=C(NNc1c2ccccc2nc2ccccc12)c1ccccn1
Show InChI InChI=1S/C19H14N4O/c24-19(17-11-5-6-12-20-17)23-22-18-13-7-1-3-9-15(13)21-16-10-4-2-8-14(16)18/h1-12H,(H,21,22)(H,23,24)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (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
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50163411
PNG
(CHEMBL3793443)
Show SMILES Clc1ccc(cc1)-n1[nH]c2c3C(=O)c4ccccc4C(=O)c3ccc2c1=O
Show InChI InChI=1S/C21H11ClN2O3/c22-11-5-7-12(8-6-11)24-21(27)16-10-9-15-17(18(16)23-24)20(26)14-4-2-1-3-13(14)19(15)25/h1-10,23H
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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 KDM5A (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))
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
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50320734
PNG
(4-Hydroxy-benzoic acid hydrazide | 4-hydroxybenzoh...)
Show SMILES NNC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C7H8N2O2/c8-9-7(11)5-1-3-6(10)4-2-5/h1-4,10H,8H2,(H,9,11)
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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 KDM5A (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
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50318639
PNG
(6-hydroxy-1-methoxy-9H-xanthen-9-one | CHEMBL10842...)
Show SMILES COc1cccc2oc3cc(O)ccc3c(=O)c12
Show InChI InChI=1S/C14H10O4/c1-17-10-3-2-4-11-13(10)14(16)9-6-5-8(15)7-12(9)18-11/h2-7,15H,1H3
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n/an/a 1.50E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (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
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM34463
PNG
(3-(phenylmethyl)-6-(2-pyridinyl)-[1,2,4]triazolo[3...)
Show SMILES C(c1nnc2sc(nn12)-c1ccccn1)c1ccccc1
Show InChI InChI=1S/C15H11N5S/c1-2-6-11(7-3-1)10-13-17-18-15-20(13)19-14(21-15)12-8-4-5-9-16-12/h1-9H,10H2
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n/an/a 2.50E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (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
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50163430
PNG
(CHEMBL3792463)
Show SMILES Oc1ccc(O)c2c1oc1ccccc1c2=O
Show InChI InChI=1S/C13H8O4/c14-8-5-6-9(15)13-11(8)12(16)7-3-1-2-4-10(7)17-13/h1-6,14-15H
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n/an/a 2.50E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (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
Lysine-specific demethylase 3A


(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 4.30E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM3A (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
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50163388
PNG
(CHEMBL3793686)
Show SMILES CNc1ccccc(C(=O)\C=C\c2cccc(Oc3ccccc3)c2)c1=O
Show InChI InChI=1S/C23H19NO3/c1-24-21-13-6-5-12-20(23(21)26)22(25)15-14-17-8-7-11-19(16-17)27-18-9-3-2-4-10-18/h2-16H,1H3,(H,24,26)/b15-14+
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n/an/a 6.40E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (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
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50163436
PNG
(CHEMBL3793454)
Show SMILES CCN(C1=C(Cl)C(=O)N(C1=O)c1cccc(C)c1C)c1ccccc1 |c:3|
Show InChI InChI=1S/C20H19ClN2O2/c1-4-22(15-10-6-5-7-11-15)18-17(21)19(24)23(20(18)25)16-12-8-9-13(2)14(16)3/h5-12H,4H2,1-3H3
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n/an/a 8.30E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (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
Lysine-specific demethylase 6B


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



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM6B (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
Lysine-specific demethylase 5B


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



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (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
* indicates data uncertainty>20%