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Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific demethylase 3A (KDM3A)'   
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
Lysine-specific demethylase 3A


(Homo sapiens)
BDBM50153181
PNG
(CHEMBL3774692)
Show SMILES Nc1nc(cs1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C9H7N3O2S/c10-9-12-7(4-15-9)6-3-5(8(13)14)1-2-11-6/h1-4H,(H2,10,12)(H,13,14)
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n/an/a 57n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM3A (unknown origin) using biotin-H3K9me2 (1 to 21 residues) as substrate preincubated for 15 mins followed by substrate addition mea...


J Med Chem 59: 1388-409 (2016)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens)
BDBM26106
PNG
(CHEMBL90852 | N-oxalyl glycine, 1a | NOG | Oxalylg...)
Show SMILES OC(=O)CNC(=O)C(O)=O
Show InChI InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10)
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n/an/a 290n/an/an/an/an/an/a



University of Oxford



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


Nat Chem Biol 12: 539-45 (2016)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens)
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 780n/an/an/an/an/an/a



University of Oxford



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


Nat Chem Biol 12: 539-45 (2016)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens)
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 1.00E+3n/an/an/an/an/an/a



University of Oxford





Cell Chem Biol 24: 371-380 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens)
BDBM50151392
PNG
(CHEMBL3775262)
Show SMILES OC(=O)c1ccnc(c1)-c1cc(NC(=O)c2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C19H14N2O5/c22-14-4-1-11(2-5-14)18(24)21-13-3-6-17(23)15(10-13)16-9-12(19(25)26)7-8-20-16/h1-10,22-23H,(H,21,24)(H,25,26)
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM3A (unknown origin) expressed in Escherichia coli using H3 (1 to 21 residues) K9Me2-GGK-Biotin KDM3A Cognate Ligand/10 uM alpha-keto...


J Med Chem 59: 1580-98 (2016)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens)
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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n/an/a>2.50E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal FLAG-tagged KDM3A (2 to 1322 residues) expressed in baculovirus infected sf9 cells using biotin-H3K9me as ...


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens)
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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n/an/a>2.50E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal FLAG-tagged KDM3A (2 to 1322 residues) expressed in baculovirus infected sf9 cells using biotin-H3K9me as ...


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens)
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 3.00E+3n/an/an/an/an/an/a



University of Oxford





Cell Chem Biol 24: 371-380 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens)
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 3.30E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM3A (unknown origin) expressed in Escherichia coli using H3 (1 to 21 residues) K9Me2-GGK-Biotin KDM3A Cognate Ligand/10 uM alpha-keto...


J Med Chem 59: 1580-98 (2016)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens)
BDBM50152029
PNG
(CHEMBL3775899)
Show SMILES Clc1ccc(CC2CCN(CCc3cnn(c3)-c3nccc4c3nc[nH]c4=O)CC2)cc1
Show InChI InChI=1S/C24H25ClN6O/c25-20-3-1-17(2-4-20)13-18-6-10-30(11-7-18)12-8-19-14-29-31(15-19)23-22-21(5-9-26-23)24(32)28-16-27-22/h1-5,9,14-16,18H,6-8,10-13H2,(H,27,28,32)
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n/an/a 4.80E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM3A (unknown origin) using biotin-H3K9me2 (1 to 21 residues) as substrate preincubated for 15 mins followed by substrate addition mea...


J Med Chem 59: 1388-409 (2016)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens)
BDBM50151923
PNG
(CHEMBL3774537)
Show SMILES Clc1cccc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1
Show InChI InChI=1S/C23H23ClN6O/c24-19-3-1-2-18(12-19)17-6-10-29(11-7-17)9-5-16-13-28-30(14-16)22-21-20(4-8-25-22)23(31)27-15-26-21/h1-4,8,12-15,17H,5-7,9-11H2,(H,26,27,31)
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n/an/a 5.30E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM3A (unknown origin) using biotin-H3K9me2 (1 to 21 residues) as substrate preincubated for 15 mins followed by substrate addition mea...


J Med Chem 59: 1388-409 (2016)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens)
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 5.40E+3n/an/an/an/an/an/a



University of Oxford



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


Nat Chem Biol 12: 539-45 (2016)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens)
BDBM50151393
PNG
(CHEMBL3775867)
Show SMILES Cc1cc(no1)C(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C17H13N3O5/c1-9-6-14(20-25-9)16(22)19-11-2-3-15(21)12(8-11)13-7-10(17(23)24)4-5-18-13/h2-8,21H,1H3,(H,19,22)(H,23,24)
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n/an/a 5.70E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM3A (unknown origin) expressed in Escherichia coli using H3 (1 to 21 residues) K9Me2-GGK-Biotin KDM3A Cognate Ligand/10 uM alpha-keto...


J Med Chem 59: 1580-98 (2016)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens)
BDBM50153092
PNG
(CHEMBL3775894)
Show SMILES Clc1cc(Cl)cc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1
Show InChI InChI=1S/C23H22Cl2N6O/c24-18-9-17(10-19(25)11-18)16-3-7-30(8-4-16)6-2-15-12-29-31(13-15)22-21-20(1-5-26-22)23(32)28-14-27-21/h1,5,9-14,16H,2-4,6-8H2,(H,27,28,32)
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n/an/a 6.10E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM3A (unknown origin) using biotin-H3K9me2 (1 to 21 residues) as substrate preincubated for 15 mins followed by substrate addition mea...


J Med Chem 59: 1388-409 (2016)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens)
BDBM50153093
PNG
(CHEMBL3775668)
Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(CC2)c2cccs2)cn1
Show InChI InChI=1S/C21H22N6OS/c28-21-17-3-7-22-20(19(17)23-14-24-21)27-13-15(12-25-27)4-8-26-9-5-16(6-10-26)18-2-1-11-29-18/h1-3,7,11-14,16H,4-6,8-10H2,(H,23,24,28)
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n/an/a 8.30E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM3A (unknown origin) using biotin-H3K9me2 (1 to 21 residues) as substrate preincubated for 15 mins followed by substrate addition mea...


J Med Chem 59: 1388-409 (2016)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens)
BDBM50151397
PNG
(CHEMBL3775272)
Show SMILES COc1cccc(CC(=O)Nc2ccc(O)c(c2)-c2cc(ccn2)C(O)=O)c1
Show InChI InChI=1S/C21H18N2O5/c1-28-16-4-2-3-13(9-16)10-20(25)23-15-5-6-19(24)17(12-15)18-11-14(21(26)27)7-8-22-18/h2-9,11-12,24H,10H2,1H3,(H,23,25)(H,26,27)
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n/an/a 9.00E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM3A (unknown origin) expressed in Escherichia coli using H3 (1 to 21 residues) K9Me2-GGK-Biotin KDM3A Cognate Ligand/10 uM alpha-keto...


J Med Chem 59: 1580-98 (2016)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens)
BDBM50151399
PNG
(CHEMBL3775380)
Show SMILES COCC(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C15H14N2O5/c1-22-8-14(19)17-10-2-3-13(18)11(7-10)12-6-9(15(20)21)4-5-16-12/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21)
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM3A (unknown origin) expressed in Escherichia coli using H3 (1 to 21 residues) K9Me2-GGK-Biotin KDM3A Cognate Ligand/10 uM alpha-keto...


J Med Chem 59: 1580-98 (2016)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens)
BDBM50152097
PNG
(CHEMBL3774747)
Show SMILES CN(CCc1cnn(c1)-c1nccc2c1nc[nH]c2=O)Cc1ccc(F)cc1
Show InChI InChI=1S/C20H19FN6O/c1-26(11-14-2-4-16(21)5-3-14)9-7-15-10-25-27(12-15)19-18-17(6-8-22-19)20(28)24-13-23-18/h2-6,8,10,12-13H,7,9,11H2,1H3,(H,23,24,28)
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n/an/a 1.39E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM3A (unknown origin) using biotin-H3K9me2 (1 to 21 residues) as substrate preincubated for 15 mins followed by substrate addition mea...


J Med Chem 59: 1388-409 (2016)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens)
BDBM50193145
PNG
(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Show SMILES OC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1O
Show InChI InChI=1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17)
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n/an/a>2.00E+4n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens)
BDBM50361477
PNG
(CHEMBL56175)
Show InChI InChI=1S/Ni/q+2
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n/an/a 2.50E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of KDM3A


J Med Chem 54: 8236-50 (2011)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens)
BDBM50150025
PNG
(CHEMBL3770256)
Show SMILES O=c1[nH]cnc2cnccc12
Show InChI InChI=1S/C7H5N3O/c11-7-5-1-2-8-3-6(5)9-4-10-7/h1-4H,(H,9,10,11)
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n/an/a 2.62E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM3A (unknown origin) using biotin-H3K9me2 (1 to 21 residues) as substrate preincubated for 15 mins followed by substrate addition mea...


J Med Chem 59: 1388-409 (2016)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens)
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 3.00E+4n/an/an/an/an/an/a



University of Oxford





Cell Chem Biol 24: 371-380 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens)
BDBM50151401
PNG
(CHEMBL3774598)
Show SMILES CC(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C14H12N2O4/c1-8(17)16-10-2-3-13(18)11(7-10)12-6-9(14(19)20)4-5-15-12/h2-7,18H,1H3,(H,16,17)(H,19,20)
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n/an/a 3.30E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM3A (unknown origin) expressed in Escherichia coli using H3 (1 to 21 residues) K9Me2-GGK-Biotin KDM3A Cognate Ligand/10 uM alpha-keto...


J Med Chem 59: 1580-98 (2016)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens)
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 3.39E+4n/an/an/an/an/an/a



University of Oxford



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


Nat Chem Biol 12: 539-45 (2016)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens)
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 4.30E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM3A (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
Lysine-specific demethylase 3A


(Homo sapiens)
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 4.60E+4n/an/an/an/an/an/a



University of Oxford



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


Nat Chem Biol 12: 539-45 (2016)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens)
BDBM50095447
PNG
(CHEMBL3590427)
Show SMILES CCCCCCN(C)CCCCC(=O)N(O)CCC(O)=O
Show InChI InChI=1S/C15H30N2O4/c1-3-4-5-7-11-16(2)12-8-6-9-14(18)17(21)13-10-15(19)20/h21H,3-13H2,1-2H3,(H,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of JMJD1A (unknown origin) using H3K9mel peptide


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

More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens)
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>1.00E+5n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of JMJD1A (unknown origin) using H3K9mel peptide


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

More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens)
BDBM50095443
PNG
(CHEMBL3590418)
Show SMILES CCCCN(C)CCCCC(=O)N(O)CCC(O)=O
Show InChI InChI=1S/C13H26N2O4/c1-3-4-9-14(2)10-6-5-7-12(16)15(19)11-8-13(17)18/h19H,3-11H2,1-2H3,(H,17,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of JMJD1A (unknown origin) using H3K9mel peptide


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

More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens)
BDBM50095448
PNG
(CHEMBL3590430)
Show SMILES CCCCCCN(CCCC)CCCCC(=O)N(O)CCC(O)=O
Show InChI InChI=1S/C18H36N2O4/c1-3-5-7-9-14-19(13-6-4-2)15-10-8-11-17(21)20(24)16-12-18(22)23/h24H,3-16H2,1-2H3,(H,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of JMJD1A (unknown origin) using H3K9mel peptide


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

More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens)
BDBM50158888
PNG
(CHEMBL3785984)
Show SMILES CCCCCCCCOC(=O)c1ccc(O)c2ncccc12
Show InChI InChI=1S/C18H23NO3/c1-2-3-4-5-6-7-13-22-18(21)15-10-11-16(20)17-14(15)9-8-12-19-17/h8-12,20H,2-7,13H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM3A (unknown origin) after 24 hrs by alphascreen assay


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens)
BDBM50095451
PNG
(CHEMBL3590431)
Show SMILES CCCCCCCCN(CCCC)CCCCC(=O)N(O)CCC(O)=O
Show InChI InChI=1S/C20H40N2O4/c1-3-5-7-8-9-11-16-21(15-6-4-2)17-12-10-13-19(23)22(26)18-14-20(24)25/h26H,3-18H2,1-2H3,(H,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of JMJD1A (unknown origin) using H3K9mel peptide


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

More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens)
BDBM103844
PNG
(4HQ derivative 7)
Show SMILES OC(=O)CNC(=O)c1nc(CC=C)c2ccccc2c1O
Show InChI InChI=1S/C15H14N2O4/c1-2-5-11-9-6-3-4-7-10(9)14(20)13(17-11)15(21)16-8-12(18)19/h2-4,6-7,20H,1,5,8H2,(H,16,21)(H,18,19)
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n/an/a>1.00E+5n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens)
BDBM223317
PNG
(KDOAM-1)
Show SMILES OC(=O)c1ccnc(CN2CCNCC2)c1
Show InChI InChI=1S/C11H15N3O2/c15-11(16)9-1-2-13-10(7-9)8-14-5-3-12-4-6-14/h1-2,7,12H,3-6,8H2,(H,15,16)
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n/an/a<1.00E+5n/an/an/an/an/an/a



University of Oxford





Cell Chem Biol 24: 371-380 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens)
BDBM103845
PNG
(4HQ derivative 8)
Show SMILES CCCCCCCc1nc(C(=O)NCC(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C19H24N2O4/c1-2-3-4-5-6-11-15-13-9-7-8-10-14(13)18(24)17(21-15)19(25)20-12-16(22)23/h7-10,24H,2-6,11-12H2,1H3,(H,20,25)(H,22,23)
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n/an/a>1.00E+5n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens)
BDBM103842
PNG
(4HQ derivative 4)
Show SMILES Cc1nc(C(=O)NCC(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C13H12N2O4/c1-7-8-4-2-3-5-9(8)12(18)11(15-7)13(19)14-6-10(16)17/h2-5,18H,6H2,1H3,(H,14,19)(H,16,17)
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n/an/a>1.00E+5n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens)
BDBM103843
PNG
(4HQ derivative 6)
Show SMILES OC(=O)CNC(=O)c1nc(Cc2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C19H16N2O4/c22-16(23)11-20-19(25)17-18(24)14-9-5-4-8-13(14)15(21-17)10-12-6-2-1-3-7-12/h1-9,24H,10-11H2,(H,20,25)(H,22,23)
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n/an/a>1.00E+5n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens)
BDBM103846
PNG
(4HQ derivative 9)
Show SMILES OC(=O)CNC(=O)c1nc(Cc2ccccc2)c2ccc(Br)cc2c1O
Show InChI InChI=1S/C19H15BrN2O4/c20-12-6-7-13-14(9-12)18(25)17(19(26)21-10-16(23)24)22-15(13)8-11-4-2-1-3-5-11/h1-7,9,25H,8,10H2,(H,21,26)(H,23,24)
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n/an/a>1.00E+5n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens)
BDBM50158849
PNG
(CHEMBL3785164)
Show SMILES Cc1ccsc1C(NC(=O)c1ccccc1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1/C22H17ClN2O2S/c1-13-9-11-28-21(13)19(25-22(27)14-6-3-2-4-7-14)16-12-17(23)15-8-5-10-24-18(15)20(16)26/h2-12,19,26H,1H3,(H,25,27)
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n/an/a 1.91E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM3A (unknown origin) preincubated for 15 mins followed by histone substrate addition measured after 1 hr by alphascreen assay


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens)
BDBM26106
PNG
(CHEMBL90852 | N-oxalyl glycine, 1a | NOG | Oxalylg...)
Show SMILES OC(=O)CNC(=O)C(O)=O
Show InChI InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10)
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n/an/a 5.69E+5n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of JMJD1A (unknown origin) using H3K9mel peptide


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

More data for this
Ligand-Target Pair