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PubMed code 26491978

Compile data set for download or QSAR
Found 24 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 4A


(Homo sapiens (Human))		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)


Article DOI: 10.1016/j.ejmech.2015.09.013
BindingDB Entry DOI: 10.7270/Q2ZG6V2N
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))		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)


Article DOI: 10.1016/j.ejmech.2015.09.013
BindingDB Entry DOI: 10.7270/Q2ZG6V2N
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))		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)


Article DOI: 10.1016/j.ejmech.2015.09.013
BindingDB Entry DOI: 10.7270/Q2ZG6V2N
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(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 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)


Article DOI: 10.1016/j.ejmech.2015.09.013
BindingDB Entry DOI: 10.7270/Q2ZG6V2N
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Lysine-specific demethylase 4A


(Homo sapiens (Human))		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)


Article DOI: 10.1016/j.ejmech.2015.09.013
BindingDB Entry DOI: 10.7270/Q2ZG6V2N
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))		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)


Article DOI: 10.1016/j.ejmech.2015.09.013
BindingDB Entry DOI: 10.7270/Q2ZG6V2N
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))		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)


Article DOI: 10.1016/j.ejmech.2015.09.013
BindingDB Entry DOI: 10.7270/Q2ZG6V2N
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))		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)


Article DOI: 10.1016/j.ejmech.2015.09.013
BindingDB Entry DOI: 10.7270/Q2ZG6V2N
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))		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)


Article DOI: 10.1016/j.ejmech.2015.09.013
BindingDB Entry DOI: 10.7270/Q2ZG6V2N
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))		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)


Article DOI: 10.1016/j.ejmech.2015.09.013
BindingDB Entry DOI: 10.7270/Q2ZG6V2N
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))		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)


Article DOI: 10.1016/j.ejmech.2015.09.013
BindingDB Entry DOI: 10.7270/Q2ZG6V2N
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))		BDBM50133275
PNG
(CHEMBL3634940)
Show SMILES Cc1ccccc1NC(=O)c1ccc2c(ccc(O)c2n1)C(O)=O
Show InChI InChI=1S/C18H14N2O4/c1-10-4-2-3-5-13(10)20-17(22)14-8-6-11-12(18(23)24)7-9-15(21)16(11)19-14/h2-9,21H,1H3,(H,20,22)(H,23,24)
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n/an/a>1.00E+5n/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)


Article DOI: 10.1016/j.ejmech.2015.09.013
BindingDB Entry DOI: 10.7270/Q2ZG6V2N
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))		BDBM50133299
PNG
(CHEMBL3634942)
Show SMILES OC(=O)c1ccc(O)c2nc(ccc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C17H11FN2O4/c18-9-1-3-10(4-2-9)19-16(22)13-7-5-11-12(17(23)24)6-8-14(21)15(11)20-13/h1-8,21H,(H,19,22)(H,23,24)
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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)


Article DOI: 10.1016/j.ejmech.2015.09.013
BindingDB Entry DOI: 10.7270/Q2ZG6V2N
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))		BDBM50133297
PNG
(CHEMBL3634945)
Show SMILES OC(=O)c1ccc(O)c2nc(ccc12)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H11F3N2O5/c19-18(20,21)28-10-3-1-9(2-4-10)22-16(25)13-7-5-11-12(17(26)27)6-8-14(24)15(11)23-13/h1-8,24H,(H,22,25)(H,26,27)
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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)


Article DOI: 10.1016/j.ejmech.2015.09.013
BindingDB Entry DOI: 10.7270/Q2ZG6V2N
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))		BDBM50133288
PNG
(CHEMBL3634934)
Show SMILES OC(=O)c1ccc(O)c2nc(ccc12)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C21H14N2O4/c24-18-11-9-15(21(26)27)14-8-10-17(22-19(14)18)20(25)23-16-7-3-5-12-4-1-2-6-13(12)16/h1-11,24H,(H,23,25)(H,26,27)
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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)


Article DOI: 10.1016/j.ejmech.2015.09.013
BindingDB Entry DOI: 10.7270/Q2ZG6V2N
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))		BDBM50133296
PNG
(CHEMBL3634946)
Show SMILES OC(=O)c1ccc(O)c2nc(ccc12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C18H14N2O4/c21-15-9-7-13(18(23)24)12-6-8-14(20-16(12)15)17(22)19-10-11-4-2-1-3-5-11/h1-9,21H,10H2,(H,19,22)(H,23,24)
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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)


Article DOI: 10.1016/j.ejmech.2015.09.013
BindingDB Entry DOI: 10.7270/Q2ZG6V2N
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))		BDBM50133298
PNG
(CHEMBL3634944)
Show SMILES CN(C)c1ccc(NC(=O)c2ccc3c(ccc(O)c3n2)C(O)=O)cc1
Show InChI InChI=1S/C19H17N3O4/c1-22(2)12-5-3-11(4-6-12)20-18(24)15-9-7-13-14(19(25)26)8-10-16(23)17(13)21-15/h3-10,23H,1-2H3,(H,20,24)(H,25,26)
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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)


Article DOI: 10.1016/j.ejmech.2015.09.013
BindingDB Entry DOI: 10.7270/Q2ZG6V2N
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))		BDBM50133270
PNG
(CHEMBL3634933)
Show SMILES OC(=O)c1ccc(O)c2nc(ccc12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C17H12N2O4/c20-14-9-7-12(17(22)23)11-6-8-13(19-15(11)14)16(21)18-10-4-2-1-3-5-10/h1-9,20H,(H,18,21)(H,22,23)
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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)


Article DOI: 10.1016/j.ejmech.2015.09.013
BindingDB Entry DOI: 10.7270/Q2ZG6V2N
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))		BDBM50133284
PNG
(CHEMBL3634936)
Show SMILES OC(=O)c1ccc(O)c2nc(ccc12)C(=O)NC1CCCCC1
Show InChI InChI=1S/C17H18N2O4/c20-14-9-7-12(17(22)23)11-6-8-13(19-15(11)14)16(21)18-10-4-2-1-3-5-10/h6-10,20H,1-5H2,(H,18,21)(H,22,23)
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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)


Article DOI: 10.1016/j.ejmech.2015.09.013
BindingDB Entry DOI: 10.7270/Q2ZG6V2N
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))		BDBM50133277
PNG
(CHEMBL3634938)
Show SMILES COc1cccc(NC(=O)c2ccc3c(ccc(O)c3n2)C(O)=O)c1
Show InChI InChI=1S/C18H14N2O5/c1-25-11-4-2-3-10(9-11)19-17(22)14-7-5-12-13(18(23)24)6-8-15(21)16(12)20-14/h2-9,21H,1H3,(H,19,22)(H,23,24)
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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)


Article DOI: 10.1016/j.ejmech.2015.09.013
BindingDB Entry DOI: 10.7270/Q2ZG6V2N
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))		BDBM50133283
PNG
(CHEMBL3634937)
Show SMILES COc1ccc(NC(=O)c2ccc3c(ccc(O)c3n2)C(O)=O)cc1
Show InChI InChI=1S/C18H14N2O5/c1-25-11-4-2-10(3-5-11)19-17(22)14-8-6-12-13(18(23)24)7-9-15(21)16(12)20-14/h2-9,21H,1H3,(H,19,22)(H,23,24)
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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)


Article DOI: 10.1016/j.ejmech.2015.09.013
BindingDB Entry DOI: 10.7270/Q2ZG6V2N
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))		BDBM50133300
PNG
(CHEMBL3634943)
Show SMILES OC(=O)c1ccc(O)c2nc(ccc12)C(=O)Nc1ccccc1F
Show InChI InChI=1S/C17H11FN2O4/c18-11-3-1-2-4-12(11)20-16(22)13-7-5-9-10(17(23)24)6-8-14(21)15(9)19-13/h1-8,21H,(H,20,22)(H,23,24)
PDB

UniProtKB/SwissProt

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


Article DOI: 10.1016/j.ejmech.2015.09.013
BindingDB Entry DOI: 10.7270/Q2ZG6V2N
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))		BDBM50133276
PNG
(CHEMBL3634939)
Show SMILES Cc1cccc(NC(=O)c2ccc3c(ccc(O)c3n2)C(O)=O)c1
Show InChI InChI=1S/C18H14N2O4/c1-10-3-2-4-11(9-10)19-17(22)14-7-5-12-13(18(23)24)6-8-15(21)16(12)20-14/h2-9,21H,1H3,(H,19,22)(H,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+5n/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)


Article DOI: 10.1016/j.ejmech.2015.09.013
BindingDB Entry DOI: 10.7270/Q2ZG6V2N
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))		BDBM50133274
PNG
(CHEMBL3634941)
Show SMILES Cc1ccc(NC(=O)c2ccc3c(ccc(O)c3n2)C(O)=O)cc1
Show InChI InChI=1S/C18H14N2O4/c1-10-2-4-11(5-3-10)19-17(22)14-8-6-12-13(18(23)24)7-9-15(21)16(12)20-14/h2-9,21H,1H3,(H,19,22)(H,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+5n/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)


Article DOI: 10.1016/j.ejmech.2015.09.013
BindingDB Entry DOI: 10.7270/Q2ZG6V2N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%