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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)' AND taxid = 9606   
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...


Citation and Details
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 (...


Citation and Details
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





Citation and Details
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 (...


Citation and Details
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 (...


Citation and Details
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...


Citation and Details
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





Citation and Details
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





Citation and Details
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





Citation and Details
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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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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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))
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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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 (...


Citation and Details
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





Citation and Details
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





Citation and Details
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...


Citation and Details
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 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 (...


Citation and Details
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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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


Citation and Details
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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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


Citation and Details
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 (...


Citation and Details
More data for this
Ligand-Target Pair
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