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Compile Data Set for Download or QSAR

Found 193 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific demethylase 5A (KDM5A)'   
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 demethylase JARID1A


(Homo sapiens (Human))
BDBM50158832
PNG
(CHEMBL3786038)
Show SMILES CCc1c(C)[nH]c2c(cnn2c1=O)-c1cnn(c1)-c1cc(CO)ccn1
Show InChI InChI=1S/C18H18N6O2/c1-3-14-11(2)22-17-15(8-21-24(17)18(14)26)13-7-20-23(9-13)16-6-12(10-25)4-5-19-16/h4-9,22,25H,3,10H2,1-2H3
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n/an/a 2.30n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length FLAG-tagged KDM5A (unknown origin) expressed in sf9 cells using biotin-H3K4me3 (1 to 21 residues as substrate p...


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A (KDM5A)


(Homo sapiens (Human))
BDBM191598
PNG
(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(O)=O
Show InChI InChI=1S/C15H24N4O3/c1-4-19(8-7-18(2)3)14(20)11-16-10-13-9-12(15(21)22)5-6-17-13/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,21,22)
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n/an/a 7n/an/an/an/an/an/a



University of Oxford



Assay Description
The demethylase AlphaScreen assay was performed in 384-well plate format using white proxiplates (PerkinElmer), and transfer of compound (100 nl) was...


Nat Chem Biol 12: 539-45 (2016)

More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM195608
PNG
(CPI-455)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1
Show InChI InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,19H,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Genentech Inc



Assay Description
Time-resolved fluorescence resonance energy transfer (TR-FRET) assays were carried out using full-length KDM5 enzymes in 384-well black ProxiPlates (...


Nat Chem Biol 12: 531-8 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM191598
PNG
(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(O)=O
Show InChI InChI=1S/C15H24N4O3/c1-4-19(8-7-18(2)3)14(20)11-16-10-13-9-12(15(21)22)5-6-17-13/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,21,22)
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n/an/a 10n/an/an/an/an/an/a



University of Oxford





Cell Chem Biol 24: 371-380 (2017)

More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM50158830
PNG
(CHEMBL3785583)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1cnn(c1)C(C)(C)C
Show InChI InChI=1S/C17H20N6O/c1-10(2)13-14(12-8-19-22(9-12)17(3,4)5)21-15-11(6-18)7-20-23(15)16(13)24/h7-10,21H,1-5H3
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n/an/a 14n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length FLAG-tagged KDM5A (unknown origin) expressed in sf9 cells using biotin-H3K4me3 (1 to 21 residues as substrate p...


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM50158831
PNG
(CHEMBL3785443)
Show SMILES CC(C)Cn1cc(cn1)-c1[nH]c2c(cnn2c(=O)c1C(C)C)C#N
Show InChI InChI=1S/C17H20N6O/c1-10(2)8-22-9-13(7-19-22)15-14(11(3)4)17(24)23-16(21-15)12(5-18)6-20-23/h6-7,9-11,21H,8H2,1-4H3
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n/an/a 15n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length FLAG-tagged KDM5A (unknown origin) expressed in sf9 cells using biotin-H3K4me3 (1 to 21 residues as substrate p...


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM195608
PNG
(CPI-455)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1
Show InChI InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,19H,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Genentech Inc



Assay Description
Time-resolved fluorescence resonance energy transfer (TR-FRET) assays were carried out using full-length KDM5 enzymes in 384-well black ProxiPlates (...


Nat Chem Biol 12: 531-8 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM195610
PNG
(KDM inhibitor, 3)
Show SMILES CCc1c(C)[nH]c2c(cnn2c1=O)C#N
Show InChI InChI=1S/C10H10N4O/c1-3-8-6(2)13-9-7(4-11)5-12-14(9)10(8)15/h5,13H,3H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Genentech Inc



Assay Description
Time-resolved fluorescence resonance energy transfer (TR-FRET) assays were carried out using full-length KDM5 enzymes in 384-well black ProxiPlates (...


Nat Chem Biol 12: 531-8 (2016)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A (KDM5A)


(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 24n/an/an/an/an/an/a



University of Oxford



Assay Description
The demethylase AlphaScreen assay was performed in 384-well plate format using white proxiplates (PerkinElmer), and transfer of compound (100 nl) was...


Nat Chem Biol 12: 539-45 (2016)

More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM191599
PNG
(KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...)
Show SMILES CCOC(=O)c1ccnc(CNCC(=O)N(CC)CCN(C)C)c1
Show InChI InChI=1S/C17H28N4O3/c1-5-21(10-9-20(3)4)16(22)13-18-12-15-11-14(7-8-19-15)17(23)24-6-2/h7-8,11,18H,5-6,9-10,12-13H2,1-4H3
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n/an/a 60n/an/an/an/an/an/a



University of Oxford





Cell Chem Biol 24: 371-380 (2017)

More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM223320
PNG
(KDOAM-25)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O
Show InChI InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)
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n/an/a 71n/an/an/an/an/an/a



University of Oxford





Cell Chem Biol 24: 371-380 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM223320
PNG
(KDOAM-25)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O
Show InChI InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)
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n/an/a 80n/an/an/an/an/an/a



University of Oxford





Cell Chem Biol 24: 371-380 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM50158621
PNG
(CHEMBL3785421)
Show SMILES OC(=O)c1ccnc2cc(OCc3ccc(Cl)c(OC(F)(F)F)c3)[nH]c12
Show InChI InChI=1S/C16H10ClF3N2O4/c17-10-2-1-8(5-12(10)26-16(18,19)20)7-25-13-6-11-14(22-13)9(15(23)24)3-4-21-11/h1-6,22H,7H2,(H,23,24)
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n/an/a 100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAG-tagged KDM5A (1 to 1090 residues) expressed in baculovirus infected sf9 cells using biotin-H3K4me3 su...


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM50158696
PNG
(CHEMBL3786225)
Show SMILES Cn1cnc(c1)-c1cc(ccn1)-c1nnn[nH]1
Show InChI InChI=1S/C10H9N7/c1-17-5-9(12-6-17)8-4-7(2-3-11-8)10-13-15-16-14-10/h2-6H,1H3,(H,13,14,15,16)
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n/an/a 100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAG-tagged KDM5A (1 to 1090 residues) expressed in baculovirus infected sf9 cells using biotin-H3K4me3 su...


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM50158825
PNG
(CHEMBL3785404)
Show SMILES Oc1nc(Oc2cnn(c2)[C@@H]2CCCN(Cc3ccccc3)C2)nc2cnccc12
Show InChI InChI=1/C22H22N6O2/c29-21-19-8-9-23-12-20(19)25-22(26-21)30-18-11-24-28(15-18)17-7-4-10-27(14-17)13-16-5-2-1-3-6-16/h1-3,5-6,8-9,11-12,15,17H,4,7,10,13-14H2,(H,25,26,29)/t17-/s2
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n/an/a<100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM50158819
PNG
(CHEMBL3787044)
Show SMILES CCS(=O)(=O)N1CC[C@@H](C1)n1cc(Oc2nc(O)c3ccncc3n2)cn1
Show InChI InChI=1/C16H18N6O4S/c1-2-27(24,25)21-6-4-11(9-21)22-10-12(7-18-22)26-16-19-14-8-17-5-3-13(14)15(23)20-16/h3,5,7-8,10-11H,2,4,6,9H2,1H3,(H,19,20,23)/t11-/s2
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n/an/a<100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM50158803
PNG
(CHEMBL3787438)
Show SMILES CC(C)Cn1nc(Nc2cnccc2C(=O)NC#N)c2cc(F)ccc12
Show InChI InChI=1S/C18H17FN6O/c1-11(2)9-25-16-4-3-12(19)7-14(16)17(24-25)23-15-8-21-6-5-13(15)18(26)22-10-20/h3-8,11H,9H2,1-2H3,(H,22,26)(H,23,24)
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n/an/a<100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAG-tagged KDM5A (1 to 1090 residues) expressed in baculovirus infected sf9 cells using biotin-H3K4me3 su...


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM50158816
PNG
(CHEMBL3786645)
Show SMILES Oc1nc(Oc2cnn(CCN3CCOCC3)c2)nc2cnccc12
Show InChI InChI=1S/C16H18N6O3/c23-15-13-1-2-17-10-14(13)19-16(20-15)25-12-9-18-22(11-12)4-3-21-5-7-24-8-6-21/h1-2,9-11H,3-8H2,(H,19,20,23)
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n/an/a<100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM191604
PNG
(8-(1-methyl-1Himidazol-4-yl)-2-(4,4,4-trifluorobut...)
Show SMILES Cn1cnc(c1)-c1nccc2c(O)nc(OCCCC(F)(F)F)nc12
Show InChI InChI=1S/C15H14F3N5O2/c1-23-7-10(20-8-23)12-11-9(3-5-19-12)13(24)22-14(21-11)25-6-2-4-15(16,17)18/h3,5,7-8H,2,4,6H2,1H3,(H,21,22,24)
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n/an/a<100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM50158801
PNG
(CHEMBL3786617)
Show SMILES Cn1nc(Nc2cnccc2C(O)=O)c2cccnc12
Show InChI InChI=1S/C13H11N5O2/c1-18-12-9(3-2-5-15-12)11(17-18)16-10-7-14-6-4-8(10)13(19)20/h2-7H,1H3,(H,16,17)(H,19,20)
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n/an/a<100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAG-tagged KDM5A (1 to 1090 residues) expressed in baculovirus infected sf9 cells using biotin-H3K4me3 su...


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM50158794
PNG
(CHEMBL3785470)
Show SMILES OC(=O)c1ccncc1Nc1nn(C2CCCC2)c2ccc(F)cc12
Show InChI InChI=1S/C18H17FN4O2/c19-11-5-6-16-14(9-11)17(22-23(16)12-3-1-2-4-12)21-15-10-20-8-7-13(15)18(24)25/h5-10,12H,1-4H2,(H,21,22)(H,24,25)
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n/an/a<100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAG-tagged KDM5A (1 to 1090 residues) expressed in baculovirus infected sf9 cells using biotin-H3K4me3 su...


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM50158801
PNG
(CHEMBL3786617)
Show SMILES Cn1nc(Nc2cnccc2C(O)=O)c2cccnc12
Show InChI InChI=1S/C13H11N5O2/c1-18-12-9(3-2-5-15-12)11(17-18)16-10-7-14-6-4-8(10)13(19)20/h2-7H,1H3,(H,16,17)(H,19,20)
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n/an/a 100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM5A in human ZR-75-1 cells assessed as reduction in H3K4me3 demethylation incubated for 72 hrs by fluorometric immunoassay


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM50158794
PNG
(CHEMBL3785470)
Show SMILES OC(=O)c1ccncc1Nc1nn(C2CCCC2)c2ccc(F)cc12
Show InChI InChI=1S/C18H17FN4O2/c19-11-5-6-16-14(9-11)17(22-23(16)12-3-1-2-4-12)21-15-10-20-8-7-13(15)18(24)25/h5-10,12H,1-4H2,(H,21,22)(H,24,25)
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University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM5A in human ZR-75-1 cells assessed as reduction in H3K4me3 demethylation incubated for 72 hrs by fluorometric immunoassay


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM191600
PNG
(2-(5-((4-chloro-2-methylbenzyl)oxy)-1Hpyrazol-1-yl...)
Show SMILES Cc1cc(Cl)ccc1COc1ccnn1-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C17H14ClN3O3/c1-11-8-14(18)3-2-13(11)10-24-16-5-7-20-21(16)15-9-12(17(22)23)4-6-19-15/h2-9H,10H2,1H3,(H,22,23)
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n/an/a<100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM5A in human ZR-75-1 cells assessed as reduction in H3K4me3 demethylation incubated for 72 hrs by fluorometric immunoassay


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM50158812
PNG
(CHEMBL3786987)
Show SMILES COC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(Cl)cc1
Show InChI InChI=1S/C17H14ClN3O3/c1-23-17(22)13-6-8-19-15(10-13)21-16(7-9-20-21)24-11-12-2-4-14(18)5-3-12/h2-10H,11H2,1H3
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University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM5A in human ZR-75-1 cells assessed as reduction in H3K4me3 demethylation incubated for 72 hrs by fluorometric immunoassay


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM50158703
PNG
(CHEMBL3785832)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClN3O3/c17-13-3-1-11(2-4-13)10-23-15-6-8-19-20(15)14-9-12(16(21)22)5-7-18-14/h1-9H,10H2,(H,21,22)
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University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM5A in human ZR-75-1 cells assessed as reduction in H3K4me3 demethylation incubated for 72 hrs by fluorometric immunoassay


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM50158791
PNG
(CHEMBL3786596)
Show SMILES OC(=O)c1ccncc1NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C17H22N2O2/c20-16(21)14-1-2-18-9-15(14)19-10-17-6-11-3-12(7-17)5-13(4-11)8-17/h1-2,9,11-13,19H,3-8,10H2,(H,20,21)
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n/an/a 100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAG-tagged KDM5A (1 to 1090 residues) expressed in baculovirus infected sf9 cells using biotin-H3K4me3 su...


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM50158755
PNG
(CHEMBL3786579)
Show SMILES OCCc1cnn(c1OCc1ccc(F)cc1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C18H16FN3O4/c19-15-3-1-12(2-4-15)11-26-17-14(6-8-23)10-21-22(17)16-9-13(18(24)25)5-7-20-16/h1-5,7,9-10,23H,6,8,11H2,(H,24,25)
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n/an/a<100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAG-tagged KDM5A (1 to 1090 residues) expressed in baculovirus infected sf9 cells using biotin-H3K4me3 su...


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM191600
PNG
(2-(5-((4-chloro-2-methylbenzyl)oxy)-1Hpyrazol-1-yl...)
Show SMILES Cc1cc(Cl)ccc1COc1ccnn1-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C17H14ClN3O3/c1-11-8-14(18)3-2-13(11)10-24-16-5-7-20-21(16)15-9-12(17(22)23)4-6-19-15/h2-9H,10H2,1H3,(H,22,23)
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n/an/a<100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAG-tagged KDM5A (1 to 1090 residues) expressed in baculovirus infected sf9 cells using biotin-H3K4me3 su...


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM50158703
PNG
(CHEMBL3785832)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClN3O3/c17-13-3-1-11(2-4-13)10-23-15-6-8-19-20(15)14-9-12(16(21)22)5-7-18-14/h1-9H,10H2,(H,21,22)
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University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAG-tagged KDM5A (1 to 1090 residues) expressed in baculovirus infected sf9 cells using biotin-H3K4me3 su...


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM50158693
PNG
(CHEMBL3787133)
Show SMILES Cn1cnc(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C10H9N3O2/c1-13-5-9(12-6-13)8-4-7(10(14)15)2-3-11-8/h2-6H,1H3,(H,14,15)
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n/an/a<100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAG-tagged KDM5A (1 to 1090 residues) expressed in baculovirus infected sf9 cells using biotin-H3K4me3 su...


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM50158694
PNG
(CHEMBL3786803)
Show SMILES COc1ccc(cc1)-c1c(ncn1C)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C17H15N3O3/c1-20-10-19-15(14-9-12(17(21)22)7-8-18-14)16(20)11-3-5-13(23-2)6-4-11/h3-10H,1-2H3,(H,21,22)
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n/an/a 100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAG-tagged KDM5A (1 to 1090 residues) expressed in baculovirus infected sf9 cells using biotin-H3K4me3 su...


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM50158695
PNG
(CHEMBL3787664)
Show SMILES Cn1cnc(c1-c1ccc(OCC2CC2)cc1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C20H19N3O3/c1-23-12-22-18(17-10-15(20(24)25)8-9-21-17)19(23)14-4-6-16(7-5-14)26-11-13-2-3-13/h4-10,12-13H,2-3,11H2,1H3,(H,24,25)
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University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAG-tagged KDM5A (1 to 1090 residues) expressed in baculovirus infected sf9 cells using biotin-H3K4me3 su...


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM50158620
PNG
(CHEMBL3787548)
Show SMILES OC(=O)c1ccnc2cc(OCc3ccc(Cl)c(OCC4CC4)c3)[nH]c12
Show InChI InChI=1S/C19H17ClN2O4/c20-14-4-3-12(7-16(14)25-9-11-1-2-11)10-26-17-8-15-18(22-17)13(19(23)24)5-6-21-15/h3-8,11,22H,1-2,9-10H2,(H,23,24)
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n/an/a 100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAG-tagged KDM5A (1 to 1090 residues) expressed in baculovirus infected sf9 cells using biotin-H3K4me3 su...


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(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
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM195609
PNG
(CPI-4203)
Show SMILES CCc1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1C
Show InChI InChI=1S/C16H14N4O/c1-3-12-14(13-7-5-4-6-10(13)2)19-15-11(8-17)9-18-20(15)16(12)21/h4-7,9,19H,3H2,1-2H3
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n/an/a 248n/an/an/an/an/an/a



Genentech Inc



Assay Description
Time-resolved fluorescence resonance energy transfer (TR-FRET) assays were carried out using full-length KDM5 enzymes in 384-well black ProxiPlates (...


Nat Chem Biol 12: 531-8 (2016)

More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM223318
PNG
(KDOAM-28)
Show SMILES CCNC(=O)c1ccnc(CNCC(=O)N(CC)CCN(C)C)c1
Show InChI InChI=1S/C17H29N5O2/c1-5-19-17(24)14-7-8-20-15(11-14)12-18-13-16(23)22(6-2)10-9-21(3)4/h7-8,11,18H,5-6,9-10,12-13H2,1-4H3,(H,19,24)
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n/an/a 300n/an/an/an/an/an/a



University of Oxford





Cell Chem Biol 24: 371-380 (2017)

More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM223319
PNG
(KDOAM-29)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(=O)N(C)C
Show InChI InChI=1S/C17H29N5O2/c1-6-22(10-9-20(2)3)16(23)13-18-12-15-11-14(7-8-19-15)17(24)21(4)5/h7-8,11,18H,6,9-10,12-13H2,1-5H3
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n/an/a 300n/an/an/an/an/an/a



University of Oxford





Cell Chem Biol 24: 371-380 (2017)

More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(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 760n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (1 to 797 residues) (unknown origin) expressed in insect sf21 cells using ARTK(Me3)QTARKSTGGKAPRK peptide/ 100 uM alpha-ketogluta...


J Med Chem 59: 1580-98 (2016)

More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM50158806
PNG
(CHEMBL3786108)
Show SMILES COc1cc(COc2cc3nccc(C(O)=O)c3[nH]2)ccc1Cl
Show InChI InChI=1S/C16H13ClN2O4/c1-22-13-6-9(2-3-11(13)17)8-23-14-7-12-15(19-14)10(16(20)21)4-5-18-12/h2-7,19H,8H2,1H3,(H,20,21)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAG-tagged KDM5A (1 to 1090 residues) expressed in baculovirus infected sf9 cells using biotin-H3K4me3 su...


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM50158826
PNG
(CHEMBL3786862)
Show SMILES O=c1c2CCCCc2[nH]c2c(cnn12)C#N
Show InChI InChI=1S/C11H10N4O/c12-5-7-6-13-15-10(7)14-9-4-2-1-3-8(9)11(15)16/h6,14H,1-4H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length FLAG-tagged KDM5A (unknown origin) expressed in sf9 cells using biotin-H3K4me3 (1 to 21 residues as substrate p...


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM50158695
PNG
(CHEMBL3787664)
Show SMILES Cn1cnc(c1-c1ccc(OCC2CC2)cc1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C20H19N3O3/c1-23-12-22-18(17-10-15(20(24)25)8-9-21-17)19(23)14-4-6-16(7-5-14)26-11-13-2-3-13/h4-10,12-13H,2-3,11H2,1H3,(H,24,25)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM5A in human ZR-75-1 cells assessed as reduction in H3K4me3 demethylation incubated for 72 hrs by fluorometric immunoassay


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM50158694
PNG
(CHEMBL3786803)
Show SMILES COc1ccc(cc1)-c1c(ncn1C)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C17H15N3O3/c1-20-10-19-15(14-9-12(17(21)22)7-8-18-14)16(20)11-3-5-13(23-2)6-4-11/h3-10H,1-2H3,(H,21,22)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM5A in human ZR-75-1 cells assessed as reduction in H3K4me3 demethylation incubated for 72 hrs by fluorometric immunoassay


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM50158828
PNG
(CHEMBL3786528)
Show SMILES CCc1c(C)nc2c(cnn2c1OC)C#N
Show InChI InChI=1S/C11H12N4O/c1-4-9-7(2)14-10-8(5-12)6-13-15(10)11(9)16-3/h6H,4H2,1-3H3
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n/an/a<1.00E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length FLAG-tagged KDM5A (unknown origin) expressed in sf9 cells using biotin-H3K4me3 (1 to 21 residues as substrate p...


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A (KDM5A)


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



University of Oxford



Assay Description
The demethylase AlphaScreen assay was performed in 384-well plate format using white proxiplates (PerkinElmer), and transfer of compound (100 nl) was...


Nat Chem Biol 12: 539-45 (2016)

More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM195609
PNG
(CPI-4203)
Show SMILES CCc1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1C
Show InChI InChI=1S/C16H14N4O/c1-3-12-14(13-7-5-4-6-10(13)2)19-15-11(8-17)9-18-20(15)16(12)21/h4-7,9,19H,3H2,1-2H3
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PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Genentech Inc



Assay Description
Time-resolved fluorescence resonance energy transfer (TR-FRET) assays were carried out using full-length KDM5 enzymes in 384-well black ProxiPlates (...


Nat Chem Biol 12: 531-8 (2016)

More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM50095454
PNG
(CHEMBL3590422)
Show SMILES CCCCN(C)CCCCCCC(=O)N(O)CCC(O)=O
Show InChI InChI=1S/C15H30N2O4/c1-3-4-11-16(2)12-8-6-5-7-9-14(18)17(21)13-10-15(19)20/h21H,3-13H2,1-2H3,(H,19,20)
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PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of JARID1A (unknown origin) using biotinylated H3K9mel peptide after 60 mins by Alpha screen assay


ACS Med Chem Lett 6: 665-70 (2015)

More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(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
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM50095446
PNG
(CHEMBL3590426)
Show SMILES CCCCCN(C)CCCCC(=O)N(O)CCC(O)=O
Show InChI InChI=1S/C14H28N2O4/c1-3-4-6-10-15(2)11-7-5-8-13(17)16(20)12-9-14(18)19/h20H,3-12H2,1-2H3,(H,18,19)
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PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of JARID1A (unknown origin) using biotinylated H3K9mel peptide after 60 mins by Alpha screen assay


ACS Med Chem Lett 6: 665-70 (2015)

More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM60875
PNG
(3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(...)
Show SMILES OC(=O)CCNc1cc(nc(n1)-c1ccccn1)N1CCc2ccccc2CC1
Show InChI InChI=1S/C22H23N5O2/c28-21(29)8-12-24-19-15-20(26-22(25-19)18-7-3-4-11-23-18)27-13-9-16-5-1-2-6-17(16)10-14-27/h1-7,11,15H,8-10,12-14H2,(H,28,29)(H,24,25,26)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Genentech Inc



Assay Description
Time-resolved fluorescence resonance energy transfer (TR-FRET) assays were carried out using full-length KDM5 enzymes in 384-well black ProxiPlates (...


Nat Chem Biol 12: 531-8 (2016)

More data for this
Ligand-Target Pair
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