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Compile Data Set for Download or QSAR

Found 36 hits of ic50 data for polymerid = 8232   
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 6A


(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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University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM6A (919 to 1401 residues) (unknown origin) expressed in Escherichia coli using biotinylated histone H3 as substrate preincubated for...


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 6A


(Homo sapiens (Human))
BDBM50158859
PNG
(CHEMBL3787193)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(=O)OC
Show InChI InChI=1S/C16H26N4O3/c1-5-20(9-8-19(2)3)15(21)12-17-11-14-10-13(6-7-18-14)16(22)23-4/h6-7,10,17H,5,8-9,11-12H2,1-4H3
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University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM6A (919 to 1401 residues) (unknown origin) expressed in Escherichia coli using biotinylated histone H3 as substrate preincubated for...


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 6A


(Homo sapiens (Human))
BDBM50396018
PNG
(CHEMBL1230640)
Show SMILES OC(=O)c1ccc(O)c2ncccc12
Show InChI InChI=1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14)
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n/an/a 200n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01204
BindingDB Entry DOI: 10.7270/Q2BR8X83
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 6A


(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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University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM6A (919 to 1401 residues) (unknown origin) expressed in Escherichia coli using biotinylated histone H3 as substrate preincubated for...


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 6A


(Homo sapiens (Human))
BDBM50155508
PNG
(CHEMBL3780833)
Show SMILES C[C@@H](N1CCC[C@@H](CNCc2cc(ccn2)C(O)=O)C1=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H25N3O3/c1-15(16-6-3-2-4-7-16)24-11-5-8-18(20(24)25)13-22-14-19-12-17(21(26)27)9-10-23-19/h2-4,6-7,9-10,12,15,18,22H,5,8,11,13-14H2,1H3,(H,26,27)/t15-,18+/m1/s1
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Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human KDM6A preincubated for 10 mins followed by substrate addition by AlphaLISA assay


ACS Med Chem Lett 7: 128-30 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00437
BindingDB Entry DOI: 10.7270/Q2CJ8GC9
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6A


(Homo sapiens (Human))
BDBM50158860
PNG
(CHEMBL3785378)
Show SMILES CCN1CCC[C@H](CNCc2cc(ccn2)C(O)=O)C1=O |r|
Show InChI InChI=1S/C15H21N3O3/c1-2-18-7-3-4-12(14(18)19)9-16-10-13-8-11(15(20)21)5-6-17-13/h5-6,8,12,16H,2-4,7,9-10H2,1H3,(H,20,21)/t12-/m1/s1
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University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM6A (919 to 1401 residues) (unknown origin) expressed in Escherichia coli using biotinylated histone H3 as substrate preincubated for...


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 6A


(Homo sapiens (Human))
BDBM50158857
PNG
(CHEMBL3787547)
Show SMILES CCN(CC)CCCCNCc1cc(C=O)ccn1
Show InChI InChI=1S/C15H25N3O/c1-3-18(4-2)10-6-5-8-16-12-15-11-14(13-19)7-9-17-15/h7,9,11,13,16H,3-6,8,10,12H2,1-2H3
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University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM6A (919 to 1401 residues) (unknown origin) expressed in Escherichia coli using biotinylated histone H3 as substrate preincubated for...


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 6A


(Homo sapiens (Human))
BDBM50158858
PNG
(CHEMBL3786409)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(CNC(=O)C(F)(F)F)ccn1
Show InChI InChI=1S/C17H26F3N5O2/c1-4-25(8-7-24(2)3)15(26)12-21-11-14-9-13(5-6-22-14)10-23-16(27)17(18,19)20/h5-6,9,21H,4,7-8,10-12H2,1-3H3,(H,23,27)
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University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM6A (919 to 1401 residues) (unknown origin) expressed in Escherichia coli using biotinylated histone H3 as substrate preincubated for...


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 6A


(Homo sapiens (Human))
BDBM50155507
PNG
(CHEMBL3780904)
Show SMILES C[C@@H](N1CC[C@@H](CNCc2cc(ccn2)C(O)=O)C1=O)c1ccccc1 |r|
Show InChI InChI=1S/C20H23N3O3/c1-14(15-5-3-2-4-6-15)23-10-8-17(19(23)24)12-21-13-18-11-16(20(25)26)7-9-22-18/h2-7,9,11,14,17,21H,8,10,12-13H2,1H3,(H,25,26)/t14-,17+/m1/s1
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Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human KDM6A preincubated for 10 mins followed by substrate addition by AlphaLISA assay


ACS Med Chem Lett 7: 128-30 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00437
BindingDB Entry DOI: 10.7270/Q2CJ8GC9
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6A


(Homo sapiens (Human))
BDBM50155505
PNG
(CHEMBL3781414)
Show SMILES CCN1CCC(CNCc2cc(ccn2)C(O)=O)C1=O
Show InChI InChI=1S/C14H19N3O3/c1-2-17-6-4-11(13(17)18)8-15-9-12-7-10(14(19)20)3-5-16-12/h3,5,7,11,15H,2,4,6,8-9H2,1H3,(H,19,20)
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Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human KDM6A preincubated for 10 mins followed by substrate addition by AlphaLISA assay


ACS Med Chem Lett 7: 128-30 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00437
BindingDB Entry DOI: 10.7270/Q2CJ8GC9
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6A


(Homo sapiens (Human))
BDBM50155450
PNG
(CHEMBL3779953)
Show SMILES Cc1cn2CCN(Cc3cc(ccn3)C(O)=O)CCc2n1
Show InChI InChI=1S/C15H18N4O2/c1-11-9-19-7-6-18(5-3-14(19)17-11)10-13-8-12(15(20)21)2-4-16-13/h2,4,8-9H,3,5-7,10H2,1H3,(H,20,21)
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Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human KDM6A preincubated for 10 mins followed by substrate addition by AlphaLISA assay


ACS Med Chem Lett 7: 128-30 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00437
BindingDB Entry DOI: 10.7270/Q2CJ8GC9
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6A


(Homo sapiens (Human))
BDBM50155449
PNG
(CHEMBL3780958)
Show SMILES COc1ccc(cc1)[C@@H](C)N1CCC[C@@H](CNCc2cc(ccn2)C(O)=O)C1=O |r|
Show InChI InChI=1S/C22H27N3O4/c1-15(16-5-7-20(29-2)8-6-16)25-11-3-4-18(21(25)26)13-23-14-19-12-17(22(27)28)9-10-24-19/h5-10,12,15,18,23H,3-4,11,13-14H2,1-2H3,(H,27,28)/t15-,18+/m1/s1
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Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human KDM6A preincubated for 10 mins followed by substrate addition by AlphaLISA assay


ACS Med Chem Lett 7: 128-30 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00437
BindingDB Entry DOI: 10.7270/Q2CJ8GC9
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6A


(Homo sapiens (Human))
BDBM50155509
PNG
(CHEMBL3780689)
Show SMILES C[C@@H](N1CCC[C@H](CNCc2cc(ccn2)C(O)=O)C1=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H25N3O3/c1-15(16-6-3-2-4-7-16)24-11-5-8-18(20(24)25)13-22-14-19-12-17(21(26)27)9-10-23-19/h2-4,6-7,9-10,12,15,18,22H,5,8,11,13-14H2,1H3,(H,26,27)/t15-,18-/m1/s1
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Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human KDM6A preincubated for 10 mins followed by substrate addition by AlphaLISA assay


ACS Med Chem Lett 7: 128-30 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00437
BindingDB Entry DOI: 10.7270/Q2CJ8GC9
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6A


(Homo sapiens (Human))
BDBM50158862
PNG
(CHEMBL3786275)
Show SMILES OC(=O)c1cnnc(CNCC(=O)N2CCCCC2)c1
Show InChI InChI=1S/C13H18N4O3/c18-12(17-4-2-1-3-5-17)9-14-8-11-6-10(13(19)20)7-15-16-11/h6-7,14H,1-5,8-9H2,(H,19,20)
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University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM6A (919 to 1401 residues) (unknown origin) expressed in Escherichia coli using biotinylated histone H3 as substrate preincubated for...


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 6A


(Homo sapiens (Human))
BDBM50158861
PNG
(CHEMBL3786239)
Show SMILES OC(=O)c1ccnc(CNCc2nccn2C\C=C\c2ccccc2)c1
Show InChI InChI=1S/C20H20N4O2/c25-20(26)17-8-9-22-18(13-17)14-21-15-19-23-10-12-24(19)11-4-7-16-5-2-1-3-6-16/h1-10,12-13,21H,11,14-15H2,(H,25,26)/b7-4+
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University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM6A (919 to 1401 residues) (unknown origin) expressed in Escherichia coli using biotinylated histone H3 as substrate preincubated for...


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 6A


(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 3.20E+3n/an/an/an/an/an/a



Genentech Inc



Assay Description
TR-FRET assays similar to those described above for KDM5 enzymes were carried out with full-length KDM2B, KDM3B, KDM4C, KDM6A and KDM7B.


Nat Chem Biol 12: 531-8 (2016)


Article DOI: 10.1038/nchembio.2085
BindingDB Entry DOI: 10.7270/Q2CF9NXW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 6A


(Homo sapiens (Human))
BDBM50525976
PNG
(APO-066 | APO-66 | CHEBI:68554 | CP-20 | CP20 | DN...)
Show SMILES Cc1c(O)c(=O)ccn1C
Show InChI InChI=1S/C7H9NO2/c1-5-7(10)6(9)3-4-8(5)2/h3-4,10H,1-2H3
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114143
BindingDB Entry DOI: 10.7270/Q28W3J9V
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6A


(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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Genentech Inc



Assay Description
TR-FRET assays similar to those described above for KDM5 enzymes were carried out with full-length KDM2B, KDM3B, KDM4C, KDM6A and KDM7B.


Nat Chem Biol 12: 531-8 (2016)


Article DOI: 10.1038/nchembio.2085
BindingDB Entry DOI: 10.7270/Q2CF9NXW
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6A


(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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Genentech Inc



Assay Description
TR-FRET assays similar to those described above for KDM5 enzymes were carried out with full-length KDM2B, KDM3B, KDM4C, KDM6A and KDM7B.


Nat Chem Biol 12: 531-8 (2016)


Article DOI: 10.1038/nchembio.2085
BindingDB Entry DOI: 10.7270/Q2CF9NXW
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6A


(Homo sapiens (Human))
BDBM281089
PNG
(US10022354, Example 29)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CC[C@H](C1)NC(=O)C1CC1 |r|
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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Genentech Inc., 1 DNA Way, South San Francisco, CA 94080, USA. Electronic address: liang.jun@gene.com.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal FLAG-tagged KDM6A expressed in baculovirus infected Sf9 insect cells using H3K27me3 peptide as substrate a...


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 6A


(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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Genentech Inc., 1 DNA Way, South San Francisco, CA 94080, USA. Electronic address: liang.jun@gene.com.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal FLAG-tagged KDM6A expressed in baculovirus infected Sf9 insect cells using H3K27me3 peptide as substrate a...


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 6A


(Homo sapiens (Human))
BDBM50535443
PNG
(CHEMBL4591907)
Show SMILES Oc1ccc(O)c(c1)-c1nc2ccccc2o1
Show InChI InChI=1S/C13H9NO3/c15-8-5-6-11(16)9(7-8)13-14-10-3-1-2-4-12(10)17-13/h1-7,15-16H
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n/an/a 2.57E+4n/an/an/an/an/an/a



Institute of Biomolecular Chemistry (ICB)

Curated by ChEMBL


Assay Description
Inhibition of UTX (unknown origin) using histone H3 peptide as substrate incubated for 30 mins followed by substrate addition by AlphaScreen assay


ACS Med Chem Lett 10: 601-605 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00589
BindingDB Entry DOI: 10.7270/Q2GF0Z01
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6A


(Homo sapiens (Human))
BDBM50574750
PNG
(CHEMBL4850758)
Show SMILES CC(C)(C)OC(=O)N[C@@H]1CCN(C1)C(c1ccc(cc1)-c1ccncc1)c1cc2OCOc2cc1O |r|
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n/an/a 3.71E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of KDM6A (unknown origin) by AlphaLISA assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113662
BindingDB Entry DOI: 10.7270/Q24T6P5X
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6A


(Homo sapiens (Human))
BDBM50468052
PNG
(CHEMBL4283844)
Show SMILES OC(=O)CCNc1cc(nc(n1)-c1ccccn1)N1CCCN(CC1)C(=O)C=C
Show InChI InChI=1S/C20H24N6O3/c1-2-18(27)26-11-5-10-25(12-13-26)17-14-16(22-9-7-19(28)29)23-20(24-17)15-6-3-4-8-21-15/h2-4,6,8,14H,1,5,7,9-13H2,(H,28,29)(H,22,23,24)
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n/an/a 3.90E+4n/an/an/an/an/an/a



The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of KDM6A (880 to 1401 residues) (unknown origin) using H3 ( 21 to 44 residues) K27me3 as substrate preincubated for 15 min followed by sub...


J Med Chem 61: 10588-10601 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01219
BindingDB Entry DOI: 10.7270/Q2R49TGF
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6A


(Homo sapiens (Human))
BDBM50468053
PNG
(CHEMBL4294426)
Show SMILES OC(=O)CCNc1cc(nc(n1)-c1ccccn1)N1CCCN(CC1)S(=O)(=O)C=C
Show InChI InChI=1S/C19H24N6O4S/c1-2-30(28,29)25-11-5-10-24(12-13-25)17-14-16(21-9-7-18(26)27)22-19(23-17)15-6-3-4-8-20-15/h2-4,6,8,14H,1,5,7,9-13H2,(H,26,27)(H,21,22,23)
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n/an/a 5.50E+4n/an/an/an/an/an/a



The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of KDM6A (880 to 1401 residues) (unknown origin) using H3 ( 21 to 44 residues) K27me3 as substrate preincubated for 15 min followed by sub...


J Med Chem 61: 10588-10601 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01219
BindingDB Entry DOI: 10.7270/Q2R49TGF
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6A


(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 6.90E+4n/an/an/an/an/an/a



The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of KDM6A (880 to 1401 residues) (unknown origin) using H3 ( 21 to 44 residues) K27me3 as substrate preincubated for 15 min followed by sub...


J Med Chem 61: 10588-10601 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01219
BindingDB Entry DOI: 10.7270/Q2R49TGF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 6A


(Homo sapiens (Human))
BDBM50440285
PNG
(CHEMBL2424816)
Show SMILES ON(CCC(O)=O)C(=O)CCCCCCCCc1ccccc1
Show InChI InChI=1S/C18H27NO4/c20-17(19(23)15-14-18(21)22)13-9-4-2-1-3-6-10-16-11-7-5-8-12-16/h5,7-8,11-12,23H,1-4,6,9-10,13-15H2,(H,21,22)
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Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM6A after 1 hr


J Med Chem 56: 7222-31 (2013)


Article DOI: 10.1021/jm400624b
BindingDB Entry DOI: 10.7270/Q2SB475V
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6A


(Homo sapiens (Human))
BDBM50395076
PNG
(CHEMBL2164243)
Show SMILES CN(C)NC(=O)CCC(O)=O
Show InChI InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)
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Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM6A after 1 hr


J Med Chem 56: 7222-31 (2013)


Article DOI: 10.1021/jm400624b
BindingDB Entry DOI: 10.7270/Q2SB475V
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6A


(Homo sapiens (Human))
BDBM50440292
PNG
(CHEMBL2424809)
Show SMILES CC(C)CCCCCCCCC(=O)N(O)CCC(O)=O
Show InChI InChI=1S/C15H29NO4/c1-13(2)9-7-5-3-4-6-8-10-14(17)16(20)12-11-15(18)19/h13,20H,3-12H2,1-2H3,(H,18,19)
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Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM6A after 1 hr


J Med Chem 56: 7222-31 (2013)


Article DOI: 10.1021/jm400624b
BindingDB Entry DOI: 10.7270/Q2SB475V
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6A


(Homo sapiens (Human))
BDBM50440291
PNG
(CHEMBL2424810)
Show SMILES COC(=O)CCN(O)C(=O)CCCCCCCCC(C)C
Show InChI InChI=1S/C16H31NO4/c1-14(2)10-8-6-4-5-7-9-11-15(18)17(20)13-12-16(19)21-3/h14,20H,4-13H2,1-3H3
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Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM6A after 1 hr


J Med Chem 56: 7222-31 (2013)


Article DOI: 10.1021/jm400624b
BindingDB Entry DOI: 10.7270/Q2SB475V
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6A


(Homo sapiens (Human))
BDBM50440286
PNG
(CHEMBL2424815)
Show SMILES ON(CCC(O)=O)C(=O)CCCCCCCCC1CCCCCC1
Show InChI InChI=1S/C19H35NO4/c21-18(20(24)16-15-19(22)23)14-10-4-2-1-3-7-11-17-12-8-5-6-9-13-17/h17,24H,1-16H2,(H,22,23)
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Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM6A after 1 hr


J Med Chem 56: 7222-31 (2013)


Article DOI: 10.1021/jm400624b
BindingDB Entry DOI: 10.7270/Q2SB475V
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6A


(Homo sapiens (Human))
BDBM50440289
PNG
(CHEMBL2424812)
Show SMILES ON(CCC(O)=O)C(=O)CCCCCCCCC1CC1
Show InChI InChI=1S/C15H27NO4/c17-14(16(20)12-11-15(18)19)8-6-4-2-1-3-5-7-13-9-10-13/h13,20H,1-12H2,(H,18,19)
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Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM6A after 1 hr


J Med Chem 56: 7222-31 (2013)


Article DOI: 10.1021/jm400624b
BindingDB Entry DOI: 10.7270/Q2SB475V
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6A


(Homo sapiens (Human))
BDBM50440290
PNG
(CHEMBL2424811)
Show SMILES CCCCCCCCCC(=O)N(O)CCC(O)=O
Show InChI InChI=1S/C13H25NO4/c1-2-3-4-5-6-7-8-9-12(15)14(18)11-10-13(16)17/h18H,2-11H2,1H3,(H,16,17)
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Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM6A after 1 hr


J Med Chem 56: 7222-31 (2013)


Article DOI: 10.1021/jm400624b
BindingDB Entry DOI: 10.7270/Q2SB475V
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6A


(Homo sapiens (Human))
BDBM50440288
PNG
(CHEMBL2424813)
Show SMILES ON(CCC(O)=O)C(=O)CCCCCCCCC1CCCC1
Show InChI InChI=1S/C17H31NO4/c19-16(18(22)14-13-17(20)21)12-6-4-2-1-3-5-9-15-10-7-8-11-15/h15,22H,1-14H2,(H,20,21)
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Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM6A after 1 hr


J Med Chem 56: 7222-31 (2013)


Article DOI: 10.1021/jm400624b
BindingDB Entry DOI: 10.7270/Q2SB475V
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6A


(Homo sapiens (Human))
BDBM50440287
PNG
(CHEMBL2424814)
Show SMILES ON(CCC(O)=O)C(=O)CCCCCCCCC1CCCCC1
Show InChI InChI=1S/C18H33NO4/c20-17(19(23)15-14-18(21)22)13-9-4-2-1-3-6-10-16-11-7-5-8-12-16/h16,23H,1-15H2,(H,21,22)
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Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM6A after 1 hr


J Med Chem 56: 7222-31 (2013)


Article DOI: 10.1021/jm400624b
BindingDB Entry DOI: 10.7270/Q2SB475V
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6A


(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 1.77E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of KDM6A


Bioorg Med Chem Lett 22: 5811-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.091
BindingDB Entry DOI: 10.7270/Q2222VV7
More data for this
Ligand-Target Pair