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Compile Data Set for Download or QSAR

Found 3747 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific demethylase 5A'   
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/5B


(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/an/an/a 90n/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of KDM5A/KDM5B in human ZR-75-1 cells assessed as increase in H3K4me3 level after 72 hrs by fluorometric immunoassay


Bioorg Med Chem Lett 28: 1490-1494 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 5A/5B


(Homo sapiens (Human))
BDBM264012
PNG
(2-[5-[(4-chloro-2- methoxyphenyl)methoxy]pyrazol- ...)
Show SMILES COc1cc(Cl)ccc1COc1ccnn1-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C17H14ClN3O4/c1-24-14-9-13(18)3-2-12(14)10-25-16-5-7-20-21(16)15-8-11(17(22)23)4-6-19-15/h2-9H,10H2,1H3,(H,22,23)
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n/an/an/an/a 110n/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of KDM5A/KDM5B in human ZR-75-1 cells assessed as increase in H3K4me3 level after 72 hrs by fluorometric immunoassay


Bioorg Med Chem Lett 28: 1490-1494 (2018)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(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/an/an/a 180n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM5B in human PC9 cells assessed as reduction in demethylation of H3K4me3 after 120 hrs by AlphaLisa assay


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(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/an/an/a 180n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM5A in human PC9 cells assessed as reduction in demethylation of H3K4me3 after 120 hrs by AlphaLisa assay


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 5A/5B


(Homo sapiens (Human))
BDBM50158703
PNG
(CHEMBL3785832 | US10173996, Example 53 | US9604961...)
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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n/an/an/an/a 420n/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of KDM5A/KDM5B in human ZR-75-1 cells assessed as increase in H3K4me3 level after 72 hrs by fluorometric immunoassay


Bioorg Med Chem Lett 28: 1490-1494 (2018)

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


(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/an/an/a 530n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM5A in human PC9 cells assessed as reduction in demethylation of H3K4me3 after 120 hrs by AlphaLisa assay


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(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/an/an/a 530n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM5B in human PC9 cells assessed as reduction in demethylation of H3K4me3 after 120 hrs by AlphaLisa assay


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A/5B


(Homo sapiens (Human))
BDBM264021
PNG
(2-[5-[(4-chloro-2- phenylmethoxyphenyl)methoxy] py...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(Cl)cc1OCc1ccccc1
Show InChI InChI=1S/C23H18ClN3O4/c24-19-7-6-18(20(13-19)30-14-16-4-2-1-3-5-16)15-31-22-9-11-26-27(22)21-12-17(23(28)29)8-10-25-21/h1-13H,14-15H2,(H,28,29)
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n/an/an/an/a 800n/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of KDM5A/KDM5B in human ZR-75-1 cells assessed as increase in H3K4me3 level after 72 hrs by fluorometric immunoassay


Bioorg Med Chem Lett 28: 1490-1494 (2018)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A/5B


(Homo sapiens (Human))
BDBM263975
PNG
(2-{5-[(4-fluorobenzyl)oxy]-1H- pyrazol-1-yl}pyridi...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(F)cc1
Show InChI InChI=1S/C16H12FN3O3/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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n/an/an/an/a 840n/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of KDM5A/KDM5B in human ZR-75-1 cells assessed as increase in H3K4me3 level after 72 hrs by fluorometric immunoassay


Bioorg Med Chem Lett 28: 1490-1494 (2018)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A/5B


(Homo sapiens (Human))
BDBM263992
PNG
(2-{5-[(4-bromobenzyl)oxy]-1H- pyrazol-1-yl}pyridin...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(Br)cc1
Show InChI InChI=1S/C16H12BrN3O3/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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n/an/an/an/a 860n/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of KDM5A/KDM5B in human ZR-75-1 cells assessed as increase in H3K4me3 level after 72 hrs by fluorometric immunoassay


Bioorg Med Chem Lett 28: 1490-1494 (2018)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A/5B


(Homo sapiens (Human))
BDBM264020
PNG
(2-[5-[(4- cyanophenyl)methoxy]pyrazol-1- yl]pyridi...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(cc1)C#N
Show InChI InChI=1S/C17H12N4O3/c18-10-12-1-3-13(4-2-12)11-24-16-6-8-20-21(16)15-9-14(17(22)23)5-7-19-15/h1-9H,11H2,(H,22,23)
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n/an/an/an/a 940n/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of KDM5A/KDM5B in human ZR-75-1 cells assessed as increase in H3K4me3 level after 72 hrs by fluorometric immunoassay


Bioorg Med Chem Lett 28: 1490-1494 (2018)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A/5B


(Homo sapiens (Human))
BDBM281089
PNG
(US10022354, Example 29)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CC[C@H](C1)NC(=O)C1CC1
Show InChI InChI=1/C15H22N4O2/c1-9(2)12-7-13(18-17-12)15(21)19-6-5-11(8-19)16-14(20)10-3-4-10/h7,9-11H,3-6,8H2,1-2H3,(H,16,20)(H,17,18)/t11-/s2
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n/an/an/an/a 960n/an/an/an/a



Genentech Inc

Curated by ChEMBL


Assay Description
Non-competitive inhibition of carbonic anhydrase-1 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by Linew...


Bioorg Med Chem Lett 27: 2974-2981 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 5A/5B


(Homo sapiens (Human))
BDBM263990
PNG
(2-{5-[(4-methylbenzyl)oxy]-1H- pyrazol-1-yl}pyridi...)
Show SMILES Cc1ccc(COc2ccnn2-c2cc(ccn2)C(O)=O)cc1
Show InChI InChI=1S/C17H15N3O3/c1-12-2-4-13(5-3-12)11-23-16-7-9-19-20(16)15-10-14(17(21)22)6-8-18-15/h2-10H,11H2,1H3,(H,21,22)
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n/an/an/an/a 990n/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of KDM5A/KDM5B in human ZR-75-1 cells assessed as increase in H3K4me3 level after 72 hrs by fluorometric immunoassay


Bioorg Med Chem Lett 28: 1490-1494 (2018)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A/5B


(Homo sapiens (Human))
BDBM264030
PNG
(2-[5-[(4-chloro-2- ethoxyphenyl)methoxy]pyrazol-1-...)
Show SMILES CCOc1cc(Cl)ccc1COc1ccnn1-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C18H16ClN3O4/c1-2-25-15-10-14(19)4-3-13(15)11-26-17-6-8-21-22(17)16-9-12(18(23)24)5-7-20-16/h3-10H,2,11H2,1H3,(H,23,24)
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n/an/an/an/a 1.00E+3n/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of KDM5A/KDM5B in human ZR-75-1 cells assessed as increase in H3K4me3 level after 72 hrs by fluorometric immunoassay


Bioorg Med Chem Lett 28: 1490-1494 (2018)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A/5B


(Homo sapiens (Human))
BDBM264001
PNG
(2-{5-[(4-chloro-2- fluorobenzyl)oxy]-1H-pyrazol-1-...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(Cl)cc1F
Show InChI InChI=1S/C16H11ClFN3O3/c17-12-2-1-11(13(18)8-12)9-24-15-4-6-20-21(15)14-7-10(16(22)23)3-5-19-14/h1-8H,9H2,(H,22,23)
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n/an/an/an/a 1.30E+3n/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of KDM5A/KDM5B in human ZR-75-1 cells assessed as increase in H3K4me3 level after 72 hrs by fluorometric immunoassay


Bioorg Med Chem Lett 28: 1490-1494 (2018)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A/5B


(Homo sapiens (Human))
BDBM263991
PNG
(2-{5-[(4-ethylbenzyl)oxy]- 1H-pyrazol-1-yl}pyridin...)
Show SMILES CCc1ccc(COc2ccnn2-c2cc(ccn2)C(O)=O)cc1
Show InChI InChI=1S/C18H17N3O3/c1-2-13-3-5-14(6-4-13)12-24-17-8-10-20-21(17)16-11-15(18(22)23)7-9-19-16/h3-11H,2,12H2,1H3,(H,22,23)
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n/an/an/an/a 1.30E+3n/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of KDM5A/KDM5B in human ZR-75-1 cells assessed as increase in H3K4me3 level after 72 hrs by fluorometric immunoassay


Bioorg Med Chem Lett 28: 1490-1494 (2018)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A/5B


(Homo sapiens (Human))
BDBM50253041
PNG
(CHEMBL4059597)
Show SMILES CC(C)c1cc(n[nH]1)C(=O)N1CCC(C1)NC(=O)C1CCC1
Show InChI InChI=1/C16H24N4O2/c1-10(2)13-8-14(19-18-13)16(22)20-7-6-12(9-20)17-15(21)11-4-3-5-11/h8,10-12H,3-7,9H2,1-2H3,(H,17,21)(H,18,19)
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n/an/an/an/a 1.50E+3n/an/an/an/a



Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal FLAG-tagged KDM5A expressed in baculovirus infected Sf9 insect cells using H3K4me3 peptide as substrate af...


Bioorg Med Chem Lett 27: 2974-2981 (2017)

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


(Homo sapiens (Human))
BDBM50253042
PNG
(CHEMBL4060968)
Show SMILES CC(C)c1cc(n[nH]1)C(=O)N1CCC(C1)NC(=O)C1CC1
Show InChI InChI=1/C15H22N4O2/c1-9(2)12-7-13(18-17-12)15(21)19-6-5-11(8-19)16-14(20)10-3-4-10/h7,9-11H,3-6,8H2,1-2H3,(H,16,20)(H,17,18)
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n/an/an/an/a 1.60E+3n/an/an/an/a



Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A in human PC9 cells assessed as increase in H3K4me3 level after 5 days by mass-spectrometric method


Bioorg Med Chem Lett 27: 2974-2981 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 5A/5B


(Homo sapiens (Human))
BDBM264025
PNG
(2-(4-[2-(dimethylamino)ethyl]- 5-[(4- fluorophenyl...)
Show SMILES CN(C)CCc1cnn(c1OCc1ccc(F)cc1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C20H21FN4O3/c1-24(2)10-8-16-12-23-25(18-11-15(20(26)27)7-9-22-18)19(16)28-13-14-3-5-17(21)6-4-14/h3-7,9,11-12H,8,10,13H2,1-2H3,(H,26,27)
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n/an/an/an/a 4.60E+3n/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of KDM5A/KDM5B in human ZR-75-1 cells assessed as increase in H3K4me3 level after 72 hrs by fluorometric immunoassay


Bioorg Med Chem Lett 28: 1490-1494 (2018)

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


(Homo sapiens (Human))
BDBM50253043
PNG
(CHEMBL4071387)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)NC(=O)c1ccccc1
Show InChI InChI=1/C18H22N4O2/c1-12(2)15-10-16(21-20-15)18(24)22-9-8-14(11-22)19-17(23)13-6-4-3-5-7-13/h3-7,10,12,14H,8-9,11H2,1-2H3,(H,19,23)(H,20,21)
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n/an/an/an/a 6.50E+3n/an/an/an/a



Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A in human PC9 cells assessed as increase in H3K4me3 level after 5 days by mass-spectrometric method


Bioorg Med Chem Lett 27: 2974-2981 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A/5B


(Homo sapiens (Human))
BDBM263974
PNG
(2-(5-(benzyloxy)-1H-pyrazol-1- yl)isonicotinic aci...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccccc1
Show InChI InChI=1S/C16H13N3O3/c20-16(21)13-6-8-17-14(10-13)19-15(7-9-18-19)22-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,20,21)
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n/an/an/an/a 7.00E+3n/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of KDM5A/KDM5B in human ZR-75-1 cells assessed as increase in H3K4me3 level after 72 hrs by fluorometric immunoassay


Bioorg Med Chem Lett 28: 1490-1494 (2018)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A/5B


(Homo sapiens (Human))
BDBM263976
PNG
(2-{5-[(3-fluorobenzyl)oxy]-1H- pyrazol-1-yl}pyridi...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1cccc(F)c1
Show InChI InChI=1S/C16H12FN3O3/c17-13-3-1-2-11(8-13)10-23-15-5-7-19-20(15)14-9-12(16(21)22)4-6-18-14/h1-9H,10H2,(H,21,22)
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n/an/an/an/a 1.20E+4n/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of KDM5A/KDM5B in human ZR-75-1 cells assessed as increase in H3K4me3 level after 72 hrs by fluorometric immunoassay


Bioorg Med Chem Lett 28: 1490-1494 (2018)

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


(Homo sapiens (Human))
BDBM281138
PNG
(US10022354, Example 78)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)c1cc(cc(C)n1)-c1cnn(C)c1
Show InChI InChI=1/C21H26N6O/c1-13(2)18-9-20(25-24-18)21(28)27-6-5-15(12-27)19-8-16(7-14(3)23-19)17-10-22-26(4)11-17/h7-11,13,15H,5-6,12H2,1-4H3,(H,24,25)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A in human PC9 cells assessed as increase in H3K4me3 level after 5 days by mass-spectrometric method


Bioorg Med Chem Lett 27: 2974-2981 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A/5B


(Homo sapiens (Human))
BDBM50468050
PNG
(CHEMBL4287599)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(OCCN1CCCCC1)c1cc2nccc(C(O)=O)c2s1
Show InChI InChI=1S/C28H34N4O4S/c1-31(2)13-7-10-25(33)30-21-9-6-8-20(18-21)26(36-17-16-32-14-4-3-5-15-32)24-19-23-27(37-24)22(28(34)35)11-12-29-23/h6-12,18-19,26H,3-5,13-17H2,1-2H3,(H,30,33)(H,34,35)/b10-7+
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410n/an/an/an/an/an/an/an/a



The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Irreversible inhibition of KDM5A ARID/PhD1 domain deletion mutant (1 to 739 residues) (unknown origin)


J Med Chem 61: 10588-10601 (2018)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A/5B


(Homo sapiens (Human))
BDBM50273478
PNG
(CHEMBL4130224)
Show SMILES [I-].CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCC[N+](C)(C)C)cc1
Show InChI InChI=1S/C25H32NO3.HI/c1-5-6-11-23-24(21-10-7-8-12-22(21)29-23)25(27)19-13-15-20(16-14-19)28-18-9-17-26(2,3)4;/h7-8,10,12-16H,5-6,9,11,17-18H2,1-4H3;1H/q+1;/p-1
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7.40E+4n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Mixed type inhibition of KDM5A (L88 to G353 residues) ARID/PHD1/2/3 deletion mutant (unknown origin) demethylation activity using H3(1-21)K4me3 pepti...


Bioorg Med Chem 26: 2984-2991 (2018)

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


(Homo sapiens (Human))
BDBM50440605
PNG
(CHEMBL2424677)
Show SMILES CCN1Cc2ccc(NC(=O)c3ccc(C(=O)N4CCC(CC4)C4CCCN4)c(Nc4ccccc4)c3)cc2C1
Show InChI InChI=1/C33H39N5O2/c1-2-37-21-25-10-12-28(19-26(25)22-37)36-32(39)24-11-13-29(31(20-24)35-27-7-4-3-5-8-27)33(40)38-17-14-23(15-18-38)30-9-6-16-34-30/h3-5,7-8,10-13,19-20,23,30,34-35H,2,6,9,14-18,21-22H2,1H3,(H,36,39)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of JARID1A (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50440606
PNG
(CHEMBL2426376)
Show SMILES CCN1Cc2ccc(NC(=O)c3ccc(cc3Nc3ccccc3)C(=O)N3CCC(CC3)C3CCCN3)cc2C1
Show InChI InChI=1/C33H39N5O2/c1-2-37-21-25-10-12-28(19-26(25)22-37)36-32(39)29-13-11-24(20-31(29)35-27-7-4-3-5-8-27)33(40)38-17-14-23(15-18-38)30-9-6-16-34-30/h3-5,7-8,10-13,19-20,23,30,34-35H,2,6,9,14-18,21-22H2,1H3,(H,36,39)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of JARID1A (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50440607
PNG
(CHEMBL2426375)
Show SMILES CCN1Cc2ccc(NC(=O)c3ccc(cc3)C(=O)N3CCC(CC3)C3CCCN3)cc2C1
Show InChI InChI=1/C27H34N4O2/c1-2-30-17-22-9-10-24(16-23(22)18-30)29-26(32)20-5-7-21(8-6-20)27(33)31-14-11-19(12-15-31)25-4-3-13-28-25/h5-10,16,19,25,28H,2-4,11-15,17-18H2,1H3,(H,29,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of JARID1A (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50440608
PNG
(CHEMBL2426374)
Show SMILES CCN1Cc2ccc(NC(=O)c3ccc(cc3)C(=O)N3CC4CCC(C3)C4N3CCCC3)cc2C1
Show InChI InChI=1/C29H36N4O2/c1-2-31-16-22-11-12-26(15-25(22)17-31)30-28(34)20-5-7-21(8-6-20)29(35)33-18-23-9-10-24(19-33)27(23)32-13-3-4-14-32/h5-8,11-12,15,23-24,27H,2-4,9-10,13-14,16-19H2,1H3,(H,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of JARID1A (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50440609
PNG
(CHEMBL2426373)
Show SMILES CCN1Cc2ccc(NC(=O)c3ccc(cc3)C(=O)N3CCC(CC3)N3CCCC3)cc2C1
Show InChI InChI=1S/C27H34N4O2/c1-2-29-18-22-9-10-24(17-23(22)19-29)28-26(32)20-5-7-21(8-6-20)27(33)31-15-11-25(12-16-31)30-13-3-4-14-30/h5-10,17,25H,2-4,11-16,18-19H2,1H3,(H,28,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of JARID1A (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50440610
PNG
(CHEMBL2426368)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(C(=O)N2CCC(CC2)N2CCCC2)c(c1)-c1ccccc1
Show InChI InChI=1S/C32H42N4O2/c37-31(35-20-12-27(13-21-35)33-16-4-5-17-33)26-10-11-29(30(24-26)25-8-2-1-3-9-25)32(38)36-22-14-28(15-23-36)34-18-6-7-19-34/h1-3,8-11,24,27-28H,4-7,12-23H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of JARID1A (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50440611
PNG
(CHEMBL2426367)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(C(=O)N2CCC(CC2)N2CCCC2)c(Oc2ccccc2)c1
Show InChI InChI=1S/C32H42N4O3/c37-31(35-20-12-26(13-21-35)33-16-4-5-17-33)25-10-11-29(30(24-25)39-28-8-2-1-3-9-28)32(38)36-22-14-27(15-23-36)34-18-6-7-19-34/h1-3,8-11,24,26-27H,4-7,12-23H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of JARID1A (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50440612
PNG
(CHEMBL2426366)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(C(=O)N2CCC(CC2)N2CCCC2)c(Cc2ccccc2)c1
Show InChI InChI=1S/C33H44N4O2/c38-32(36-20-12-29(13-21-36)34-16-4-5-17-34)27-10-11-31(28(25-27)24-26-8-2-1-3-9-26)33(39)37-22-14-30(15-23-37)35-18-6-7-19-35/h1-3,8-11,25,29-30H,4-7,12-24H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of JARID1A (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50440613
PNG
(CHEMBL2426365)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(C(=O)N2CCC(CC2)N2CCCC2)c(NCc2ccccc2)c1
Show InChI InChI=1S/C33H45N5O2/c39-32(37-20-12-28(13-21-37)35-16-4-5-17-35)27-10-11-30(31(24-27)34-25-26-8-2-1-3-9-26)33(40)38-22-14-29(15-23-38)36-18-6-7-19-36/h1-3,8-11,24,28-29,34H,4-7,12-23,25H2
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University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of JARID1A (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50440614
PNG
(CHEMBL2426364)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(C(=O)N2CCC(CC2)N2CCCC2)c(Nc2ccccc2)c1
Show InChI InChI=1S/C32H43N5O2/c38-31(36-20-12-27(13-21-36)34-16-4-5-17-34)25-10-11-29(30(24-25)33-26-8-2-1-3-9-26)32(39)37-22-14-28(15-23-37)35-18-6-7-19-35/h1-3,8-11,24,27-28,33H,4-7,12-23H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of JARID1A (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50440560
PNG
(CHEMBL2426363)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(s1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C24H36N4O2S/c29-23(27-15-7-19(8-16-27)25-11-1-2-12-25)21-5-6-22(31-21)24(30)28-17-9-20(10-18-28)26-13-3-4-14-26/h5-6,19-20H,1-4,7-18H2
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University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of JARID1A (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50440561
PNG
(CHEMBL2426362)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(o1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C24H36N4O3/c29-23(27-15-7-19(8-16-27)25-11-1-2-12-25)21-5-6-22(31-21)24(30)28-17-9-20(10-18-28)26-13-3-4-14-26/h5-6,19-20H,1-4,7-18H2
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University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of JARID1A (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50440562
PNG
(CHEMBL2426361)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc2cc(ccc2c1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C30H40N4O2/c35-29(33-17-9-27(10-18-33)31-13-1-2-14-31)25-7-5-24-22-26(8-6-23(24)21-25)30(36)34-19-11-28(12-20-34)32-15-3-4-16-32/h5-8,21-22,27-28H,1-4,9-20H2
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University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of JARID1A (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50440563
PNG
(CHEMBL2426360)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(C(=O)N2CCC(CC2)N2CCCC2)c2ccccc12
Show InChI InChI=1S/C30H40N4O2/c35-29(33-19-11-23(12-20-33)31-15-3-4-16-31)27-9-10-28(26-8-2-1-7-25(26)27)30(36)34-21-13-24(14-22-34)32-17-5-6-18-32/h1-2,7-10,23-24H,3-6,11-22H2
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University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of JARID1A (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50440564
PNG
(CHEMBL2426359)
Show SMILES Cc1cc(C(=O)N2CCC(CC2)N2CCCC2)c(C)cc1C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C28H42N4O2/c1-21-19-26(28(34)32-17-9-24(10-18-32)30-13-5-6-14-30)22(2)20-25(21)27(33)31-15-7-23(8-16-31)29-11-3-4-12-29/h19-20,23-24H,3-18H2,1-2H3
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University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of JARID1A (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50440565
PNG
(CHEMBL2426358)
Show SMILES Fc1c(F)c(C(=O)N2CCC(CC2)N2CCCC2)c(F)c(F)c1C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H34F4N4O2/c27-21-19(25(35)33-13-5-17(6-14-33)31-9-1-2-10-31)22(28)24(30)20(23(21)29)26(36)34-15-7-18(8-16-34)32-11-3-4-12-32/h17-18H,1-16H2
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University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of JARID1A (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50440566
PNG
(CHEMBL2426478)
Show SMILES Nc1cc(ccc1C(=O)N1CCC(CC1)N1CCCC1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H39N5O2/c27-24-19-20(25(32)30-15-7-21(8-16-30)28-11-1-2-12-28)5-6-23(24)26(33)31-17-9-22(10-18-31)29-13-3-4-14-29/h5-6,19,21-22H,1-4,7-18,27H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of JARID1A (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50440567
PNG
(CHEMBL2426477)
Show SMILES [O-][N+](=O)c1cc(ccc1C(=O)N1CCC(CC1)N1CCCC1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H37N5O4/c32-25(29-15-7-21(8-16-29)27-11-1-2-12-27)20-5-6-23(24(19-20)31(34)35)26(33)30-17-9-22(10-18-30)28-13-3-4-14-28/h5-6,19,21-22H,1-4,7-18H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of JARID1A (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50440568
PNG
(CHEMBL2426476)
Show SMILES Brc1cc(ccc1C(=O)N1CCC(CC1)N1CCCC1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H37BrN4O2/c27-24-19-20(25(32)30-15-7-21(8-16-30)28-11-1-2-12-28)5-6-23(24)26(33)31-17-9-22(10-18-31)29-13-3-4-14-29/h5-6,19,21-22H,1-4,7-18H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of JARID1A (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50440569
PNG
(CHEMBL2424678)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(nc1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C25H37N5O2/c31-24(29-15-7-21(8-16-29)27-11-1-2-12-27)20-5-6-23(26-19-20)25(32)30-17-9-22(10-18-30)28-13-3-4-14-28/h5-6,19,21-22H,1-4,7-18H2
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University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of JARID1A (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50440570
PNG
(CHEMBL2426475)
Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(cc1)C(=O)N1CCC(CC1)N(C)C
Show InChI InChI=1S/C22H34N4O2/c1-23(2)19-9-13-25(14-10-19)21(27)17-5-7-18(8-6-17)22(28)26-15-11-20(12-16-26)24(3)4/h5-8,19-20H,9-16H2,1-4H3
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University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of JARID1A (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50440571
PNG
(CHEMBL2426474)
Show SMILES O=C(N1CCC(CC1)N1CCCCC1)c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C28H42N4O2/c33-27(31-19-11-25(12-20-31)29-15-3-1-4-16-29)23-7-9-24(10-8-23)28(34)32-21-13-26(14-22-32)30-17-5-2-6-18-30/h7-10,25-26H,1-6,11-22H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of JARID1A (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50440572
PNG
(CHEMBL2426473)
Show SMILES CN1CCCC1C1CCN(CC1)C(=O)c1ccc(cc1)C(=O)N1CCC(CC1)C1CCCN1C
Show InChI InChI=1/C28H42N4O2/c1-29-15-3-5-25(29)21-11-17-31(18-12-21)27(33)23-7-9-24(10-8-23)28(34)32-19-13-22(14-20-32)26-6-4-16-30(26)2/h7-10,21-22,25-26H,3-6,11-20H2,1-2H3
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University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of JARID1A (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50440573
PNG
(CHEMBL2426472)
Show SMILES O=C(N1CCC(CC1)C1CCCN1)c1ccc(cc1)C(=O)N1CCC(CC1)C1CCCN1
Show InChI InChI=1/C26H38N4O2/c31-25(29-15-9-19(10-16-29)23-3-1-13-27-23)21-5-7-22(8-6-21)26(32)30-17-11-20(12-18-30)24-4-2-14-28-24/h5-8,19-20,23-24,27-28H,1-4,9-18H2
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University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of JARID1A (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50440574
PNG
(CHEMBL2426471)
Show SMILES O=C(N1CCC(CC1)N1CCC1)c1ccc(cc1)C(=O)N1CCC(CC1)N1CCC1
Show InChI InChI=1S/C24H34N4O2/c29-23(27-15-7-21(8-16-27)25-11-1-12-25)19-3-5-20(6-4-19)24(30)28-17-9-22(10-18-28)26-13-2-14-26/h3-6,21-22H,1-2,7-18H2
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University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of JARID1A (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
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