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Compile Data Set for Download or QSAR

Found 23 hits of ec50 for UniProtKB: P29375   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
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)


Article DOI: 10.1016/j.bmcl.2018.03.083
BindingDB Entry DOI: 10.7270/Q26Q20W4
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)


Article DOI: 10.1016/j.bmcl.2018.03.083
BindingDB Entry DOI: 10.7270/Q26Q20W4
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)


Article DOI: 10.1016/j.bmcl.2018.03.083
BindingDB Entry DOI: 10.7270/Q26Q20W4
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 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)


Article DOI: 10.1016/j.bmcl.2018.03.083
BindingDB Entry DOI: 10.7270/Q26Q20W4
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)


Article DOI: 10.1016/j.bmcl.2018.03.083
BindingDB Entry DOI: 10.7270/Q26Q20W4
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)


Article DOI: 10.1016/j.bmcl.2018.03.083
BindingDB Entry DOI: 10.7270/Q26Q20W4
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)


Article DOI: 10.1016/j.bmcl.2018.03.083
BindingDB Entry DOI: 10.7270/Q26Q20W4
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(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=1S/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-/m1/s1
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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)


Article DOI: 10.1016/j.bmcl.2017.05.016
BindingDB Entry DOI: 10.7270/Q2RF5XFT
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)


Article DOI: 10.1016/j.bmcl.2018.03.083
BindingDB Entry DOI: 10.7270/Q26Q20W4
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)


Article DOI: 10.1016/j.bmcl.2018.03.083
BindingDB Entry DOI: 10.7270/Q26Q20W4
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)


Article DOI: 10.1016/j.bmcl.2018.03.083
BindingDB Entry DOI: 10.7270/Q26Q20W4
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)


Article DOI: 10.1016/j.bmcl.2018.03.083
BindingDB Entry DOI: 10.7270/Q26Q20W4
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50253041
PNG
(CHEMBL4059597)
Show SMILES CC(C)c1cc(n[nH]1)C(=O)N1CCC(C1)NC(=O)C1CCC1
Show InChI InChI=1S/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)


Article DOI: 10.1016/j.bmcl.2017.05.016
BindingDB Entry DOI: 10.7270/Q2RF5XFT
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=1S/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)


Article DOI: 10.1016/j.bmcl.2017.05.016
BindingDB Entry DOI: 10.7270/Q2RF5XFT
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)


Article DOI: 10.1016/j.bmcl.2018.03.083
BindingDB Entry DOI: 10.7270/Q26Q20W4
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(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/an/an/a 5.20E+3n/an/an/an/a



Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDM5A in human PC9 cells assessed as increase in H3K4me3 levels preincubated for 4 days measured up to 24 hrs by ELISA


Bioorg Med Chem Lett 26: 4350-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.026
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 5A


(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/an/an/a 5.20E+3n/an/an/an/a



Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDM5A in human PC9 cells assessed as increase in H3K4me3 levels preincubated for 4 days measured up to 24 hrs by ELISA


Bioorg Med Chem Lett 26: 4350-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.026
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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=1S/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)


Article DOI: 10.1016/j.bmcl.2017.05.016
BindingDB Entry DOI: 10.7270/Q2RF5XFT
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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Article
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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)


Article DOI: 10.1016/j.bmcl.2018.03.083
BindingDB Entry DOI: 10.7270/Q26Q20W4
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)


Article DOI: 10.1016/j.bmcl.2018.03.083
BindingDB Entry DOI: 10.7270/Q26Q20W4
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=1S/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)


Article DOI: 10.1016/j.bmcl.2017.05.016
BindingDB Entry DOI: 10.7270/Q2RF5XFT
More data for this
Ligand-Target Pair