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PubMed code 28186755

Compile data set for download or QSAR
Found 85 hits of Enzyme Inhibition Constant Data   
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 histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236360
PNG
(CHEMBL4066708)
Show SMILES COCc1cccc(NC(=O)c2cc3sccc3n2C)c1
Show InChI InChI=1S/C16H16N2O2S/c1-18-13-6-7-21-15(13)9-14(18)16(19)17-12-5-3-4-11(8-12)10-20-2/h3-9H,10H2,1-2H3,(H,17,19)
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4.30E+4n/an/an/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Non-competitive inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using H3K4me1 peptide as substrate preincubated fo...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236359
PNG
(CHEMBL4086085)
Show SMILES CC(=O)c1ccc(CN2CCC3(C2)CCNCC3)cc1
Show InChI InChI=1S/C17H24N2O/c1-14(20)16-4-2-15(3-5-16)12-19-11-8-17(13-19)6-9-18-10-7-17/h2-5,18H,6-13H2,1H3
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4.84E+4n/an/an/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using H3K4me1 peptide as substrate preincubated for 15...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM254603
PNG
(US10214477, Example 5 | US9469597, 4 | US9670136, ...)
Show SMILES NC1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |wU:10.12,wD:8.8,(11.17,-2.23,;9.76,-2.86,;8.52,-1.95,;7.11,-2.58,;6.95,-4.11,;8.19,-5.02,;9.6,-4.39,;5.54,-4.74,;4.21,-3.97,;2.67,-3.97,;3.44,-2.64,;3.44,-1.1,;2.1,-.33,;2.1,1.21,;3.44,1.98,;4.77,1.21,;4.77,-.33,)|
Show InChI InChI=1S/C15H22N2/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10,16H2/t12?,13?,14-,15+/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236366
PNG
(CHEMBL4083038)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1cccc(COc2ccc(OC3CCNCC3)cc2)c1
Show InChI InChI=1S/C26H27N3O3S/c1-29-23-11-14-33-25(23)16-24(29)26(30)28-19-4-2-3-18(15-19)17-31-20-5-7-21(8-6-20)32-22-9-12-27-13-10-22/h2-8,11,14-16,22,27H,9-10,12-13,17H2,1H3,(H,28,30)
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n/an/a 160n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- 5-HT binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236365
PNG
(CHEMBL4090002)
Show SMILES CN1CCC(CC1)Oc1ccc(OCc2cccc(NC(=O)c3cc4sccc4n3C)c2)cc1
Show InChI InChI=1S/C27H29N3O3S/c1-29-13-10-23(11-14-29)33-22-8-6-21(7-9-22)32-18-19-4-3-5-20(16-19)28-27(31)25-17-26-24(30(25)2)12-15-34-26/h3-9,12,15-17,23H,10-11,13-14,18H2,1-2H3,(H,28,31)
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n/an/a 440n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236401
PNG
(CHEMBL4066260)
Show SMILES Cc1nc([nH]c(=O)c1C)-n1nc(cc1NC(=O)COc1ccccc1F)-c1cccs1
Show InChI InChI=1S/C21H18FN5O3S/c1-12-13(2)23-21(25-20(12)29)27-18(10-15(26-27)17-8-5-9-31-17)24-19(28)11-30-16-7-4-3-6-14(16)22/h3-10H,11H2,1-2H3,(H,24,28)(H,23,25,29)
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n/an/a 760n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- 5-HT binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50240772
PNG
((1R,2S)-(-)-2-phenylcyclopropylamine | (1R,2S)-2-p...)
Show SMILES N[C@@H]1C[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1
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n/an/a 800n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB incubated for 15 mins measured after 30 mins by luminescence-Glo assay


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50240772
PNG
((1R,2S)-(-)-2-phenylcyclopropylamine | (1R,2S)-2-p...)
Show SMILES N[C@@H]1C[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1
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n/an/a 1.06E+3n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOA incubated for 15 mins measured after 30 mins by luminescence-Glo assay


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236403
PNG
(CHEMBL4097156)
Show SMILES CN1CCC(COc2cccc(NC(=O)c3cc4sccc4n3C)c2)CC1
Show InChI InChI=1S/C21H25N3O2S/c1-23-9-6-15(7-10-23)14-26-17-5-3-4-16(12-17)22-21(25)19-13-20-18(24(19)2)8-11-27-20/h3-5,8,11-13,15H,6-7,9-10,14H2,1-2H3,(H,22,25)
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n/an/a 2.20E+3n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236360
PNG
(CHEMBL4066708)
Show SMILES COCc1cccc(NC(=O)c2cc3sccc3n2C)c1
Show InChI InChI=1S/C16H16N2O2S/c1-18-13-6-7-21-15(13)9-14(18)16(19)17-12-5-3-4-11(8-12)10-20-2/h3-9H,10H2,1-2H3,(H,17,19)
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n/an/a 2.90E+3n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 1...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236400
PNG
(CHEMBL4104004)
Show SMILES Cc1oc(cc1C(=O)Nc1ccccc1)-c1ccc(Cl)cc1[N+]([O-])=O
Show InChI InChI=1S/C18H13ClN2O4/c1-11-15(18(22)20-13-5-3-2-4-6-13)10-17(25-11)14-8-7-12(19)9-16(14)21(23)24/h2-10H,1H3,(H,20,22)
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n/an/a 3.50E+3n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 1...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236359
PNG
(CHEMBL4086085)
Show SMILES CC(=O)c1ccc(CN2CCC3(C2)CCNCC3)cc1
Show InChI InChI=1S/C17H24N2O/c1-14(20)16-4-2-15(3-5-16)12-19-11-8-17(13-19)6-9-18-10-7-17/h2-5,18H,6-13H2,1H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 1...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50236366
PNG
(CHEMBL4083038)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1cccc(COc2ccc(OC3CCNCC3)cc2)c1
Show InChI InChI=1S/C26H27N3O3S/c1-29-23-11-14-33-25(23)16-24(29)26(30)28-19-4-2-3-18(15-19)17-31-20-5-7-21(8-6-20)32-22-9-12-27-13-10-22/h2-8,11,14-16,22,27H,9-10,12-13,17H2,1H3,(H,28,30)
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n/an/a 7.16E+3n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB incubated for 15 mins measured after 30 mins by luminescence-Glo assay


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236386
PNG
(CHEMBL4069834)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1cccc(OCc2ccncc2)c1
Show InChI InChI=1S/C20H17N3O2S/c1-23-17-7-10-26-19(17)12-18(23)20(24)22-15-3-2-4-16(11-15)25-13-14-5-8-21-9-6-14/h2-12H,13H2,1H3,(H,22,24)
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n/an/a 7.20E+3n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236437
PNG
(CHEMBL4074536)
Show SMILES CSCc1cccc(NC(=O)c2cc3sccc3n2C)c1
Show InChI InChI=1S/C16H16N2OS2/c1-18-13-6-7-21-15(13)9-14(18)16(19)17-12-5-3-4-11(8-12)10-20-2/h3-9H,10H2,1-2H3,(H,17,19)
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n/an/a 7.40E+3n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- 5-HT binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50236365
PNG
(CHEMBL4090002)
Show SMILES CN1CCC(CC1)Oc1ccc(OCc2cccc(NC(=O)c3cc4sccc4n3C)c2)cc1
Show InChI InChI=1S/C27H29N3O3S/c1-29-13-10-23(11-14-29)33-22-8-6-21(7-9-22)32-18-19-4-3-5-20(16-19)28-27(31)25-17-26-24(30(25)2)12-15-34-26/h3-9,12,15-17,23H,10-11,13-14,18H2,1-2H3,(H,28,31)
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n/an/a 7.60E+3n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB incubated for 15 mins measured after 30 mins by luminescence-Glo assay


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236359
PNG
(CHEMBL4086085)
Show SMILES CC(=O)c1ccc(CN2CCC3(C2)CCNCC3)cc1
Show InChI InChI=1S/C17H24N2O/c1-14(20)16-4-2-15(3-5-16)12-19-11-8-17(13-19)6-9-18-10-7-17/h2-5,18H,6-13H2,1H3
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n/an/a 8.10E+3n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50240772
PNG
((1R,2S)-(-)-2-phenylcyclopropylamine | (1R,2S)-2-p...)
Show SMILES N[C@@H]1C[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1
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n/an/a 8.80E+3n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1d adrenergic receptor


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236417
PNG
(CHEMBL4099319)
Show SMILES CCn1c(cc2sccc12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C15H14N2OS/c1-2-17-12-8-9-19-14(12)10-13(17)15(18)16-11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,16,18)
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n/an/a 9.30E+3n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236385
PNG
(CHEMBL4085095)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1cccc(COc2ccncc2)c1
Show InChI InChI=1S/C20H17N3O2S/c1-23-17-7-10-26-19(17)12-18(23)20(24)22-15-4-2-3-14(11-15)13-25-16-5-8-21-9-6-16/h2-12H,13H2,1H3,(H,22,24)
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n/an/a 9.40E+3n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236402
PNG
(CHEMBL4079138)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C19H21N3O2S/c1-21-16-5-10-25-18(16)12-17(21)19(23)20-15-4-2-3-14(11-15)13-22-6-8-24-9-7-22/h2-5,10-12H,6-9,13H2,1H3,(H,20,23)
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n/an/a 1.11E+4n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236360
PNG
(CHEMBL4066708)
Show SMILES COCc1cccc(NC(=O)c2cc3sccc3n2C)c1
Show InChI InChI=1S/C16H16N2O2S/c1-18-13-6-7-21-15(13)9-14(18)16(19)17-12-5-3-4-11(8-12)10-20-2/h3-9H,10H2,1-2H3,(H,17,19)
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n/an/a 1.34E+4n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236412
PNG
(CHEMBL4088391)
Show SMILES CN(C)Cc1cccc(NC(=O)c2cc3sccc3n2C)c1
Show InChI InChI=1S/C17H19N3OS/c1-19(2)11-12-5-4-6-13(9-12)18-17(21)15-10-16-14(20(15)3)7-8-22-16/h4-10H,11H2,1-3H3,(H,18,21)
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n/an/a 1.67E+4n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236396
PNG
(CHEMBL4100606)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C14H11ClN2OS/c1-17-11-5-6-19-13(11)8-12(17)14(18)16-10-4-2-3-9(15)7-10/h2-8H,1H3,(H,16,18)
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n/an/a 1.87E+4n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236404
PNG
(CHEMBL4081578)
Show SMILES CN1CCN(CC1)c1cccc(NC(=O)c2cc3sccc3n2C)c1
Show InChI InChI=1S/C19H22N4OS/c1-21-7-9-23(10-8-21)15-5-3-4-14(12-15)20-19(24)17-13-18-16(22(17)2)6-11-25-18/h3-6,11-13H,7-10H2,1-2H3,(H,20,24)
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n/an/a 2.15E+4n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236397
PNG
(CHEMBL4088521)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1cccc(F)c1
Show InChI InChI=1S/C14H11FN2OS/c1-17-11-5-6-19-13(11)8-12(17)14(18)16-10-4-2-3-9(15)7-10/h2-8H,1H3,(H,16,18)
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n/an/a 2.22E+4n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236429
PNG
(CHEMBL4060161)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1cccc(COc2ccc(O)cc2)c1
Show InChI InChI=1S/C21H18N2O3S/c1-23-18-9-10-27-20(18)12-19(23)21(25)22-15-4-2-3-14(11-15)13-26-17-7-5-16(24)6-8-17/h2-12,24H,13H2,1H3,(H,22,25)
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n/an/a 2.52E+4n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236398
PNG
(CHEMBL1503273)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C14H12N2OS/c1-16-11-7-8-18-13(11)9-12(16)14(17)15-10-5-3-2-4-6-10/h2-9H,1H3,(H,15,17)
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n/an/a 2.57E+4n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236399
PNG
(CHEMBL4082564)
Show SMILES COc1cccc(NC(=O)c2cc3sccc3n2C)c1
Show InChI InChI=1S/C15H14N2O2S/c1-17-12-6-7-20-14(12)9-13(17)15(18)16-10-4-3-5-11(8-10)19-2/h3-9H,1-2H3,(H,16,18)
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n/an/a 2.65E+4n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236360
PNG
(CHEMBL4066708)
Show SMILES COCc1cccc(NC(=O)c2cc3sccc3n2C)c1
Show InChI InChI=1S/C16H16N2O2S/c1-18-13-6-7-21-15(13)9-14(18)16(19)17-12-5-3-4-11(8-12)10-20-2/h3-9H,10H2,1-2H3,(H,17,19)
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n/an/a 2.71E+4n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using H3K4me1 peptide as substrate preincubated for 15 mins with e...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236405
PNG
(CHEMBL4059629)
Show SMILES CN(C)c1cccc(NC(=O)c2cc3sccc3n2C)c1
Show InChI InChI=1S/C16H17N3OS/c1-18(2)12-6-4-5-11(9-12)17-16(20)14-10-15-13(19(14)3)7-8-21-15/h4-10H,1-3H3,(H,17,20)
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n/an/a 2.96E+4n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50240772
PNG
((1R,2S)-(-)-2-phenylcyclopropylamine | (1R,2S)-2-p...)
Show SMILES N[C@@H]1C[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1
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n/an/a 3.06E+4n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using H3K4me1 peptide as substrate preincubated for 15 mins with e...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236393
PNG
(CHEMBL4090534)
Show SMILES Cn1c(cc2ccsc12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C14H12N2OS/c1-16-12(9-10-7-8-18-14(10)16)13(17)15-11-5-3-2-4-6-11/h2-9H,1H3,(H,15,17)
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n/an/a 3.88E+4n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50236359
PNG
(CHEMBL4086085)
Show SMILES CC(=O)c1ccc(CN2CCC3(C2)CCNCC3)cc1
Show InChI InChI=1S/C17H24N2O/c1-14(20)16-4-2-15(3-5-16)12-19-11-8-17(13-19)6-9-18-10-7-17/h2-5,18H,6-13H2,1H3
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n/an/a 4.25E+4n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB incubated for 15 mins measured after 30 mins by luminescence-Glo assay


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 2


(Homo sapiens (Human))
BDBM254603
PNG
(US10214477, Example 5 | US9469597, 4 | US9670136, ...)
Show SMILES NC1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |wU:10.12,wD:8.8,(11.17,-2.23,;9.76,-2.86,;8.52,-1.95,;7.11,-2.58,;6.95,-4.11,;8.19,-5.02,;9.6,-4.39,;5.54,-4.74,;4.21,-3.97,;2.67,-3.97,;3.44,-2.64,;3.44,-1.1,;2.1,-.33,;2.1,1.21,;3.44,1.98,;4.77,1.21,;4.77,-.33,)|
Show InChI InChI=1S/C15H22N2/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10,16H2/t12?,13?,14-,15+/m0/s1
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n/an/a 4.34E+4n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of KDM1B (unknown origin)


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236361
PNG
(CHEMBL4065408)
Show SMILES NCCn1c(cc2sccc12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C15H15N3OS/c16-7-8-18-12-6-9-20-14(12)10-13(18)15(19)17-11-4-2-1-3-5-11/h1-6,9-10H,7-8,16H2,(H,17,19)
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n/an/a 4.81E+4n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM254603
PNG
(US10214477, Example 5 | US9469597, 4 | US9670136, ...)
Show SMILES NC1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |wU:10.12,wD:8.8,(11.17,-2.23,;9.76,-2.86,;8.52,-1.95,;7.11,-2.58,;6.95,-4.11,;8.19,-5.02,;9.6,-4.39,;5.54,-4.74,;4.21,-3.97,;2.67,-3.97,;3.44,-2.64,;3.44,-1.1,;2.1,-.33,;2.1,1.21,;3.44,1.98,;4.77,1.21,;4.77,-.33,)|
Show InChI InChI=1S/C15H22N2/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10,16H2/t12?,13?,14-,15+/m0/s1
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n/an/a 4.83E+4n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOA incubated for 15 mins measured after 30 mins by luminescence-Glo assay


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236431
PNG
(CHEMBL4080529)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1cccc(CO)c1
Show InChI InChI=1S/C15H14N2O2S/c1-17-12-5-6-20-14(12)8-13(17)15(19)16-11-4-2-3-10(7-11)9-18/h2-8,18H,9H2,1H3,(H,16,19)
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n/an/a 5.23E+4n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Displacement of [3H]GABA from Gamma-aminobutyric acid type B receptor in rat brain membranes


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236425
PNG
(CHEMBL4072369)
Show SMILES CCCn1c(cc2sccc12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C16H16N2OS/c1-2-9-18-13-8-10-20-15(13)11-14(18)16(19)17-12-6-4-3-5-7-12/h3-8,10-11H,2,9H2,1H3,(H,17,19)
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n/an/a 5.32E+4n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50236360
PNG
(CHEMBL4066708)
Show SMILES COCc1cccc(NC(=O)c2cc3sccc3n2C)c1
Show InChI InChI=1S/C16H16N2O2S/c1-18-13-6-7-21-15(13)9-14(18)16(19)17-12-5-3-4-11(8-12)10-20-2/h3-9H,10H2,1-2H3,(H,17,19)
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n/an/a 5.68E+4n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB incubated for 15 mins measured after 30 mins by luminescence-Glo assay


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236410
PNG
(CHEMBL4067535)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1cccnc1
Show InChI InChI=1S/C13H11N3OS/c1-16-10-4-6-18-12(10)7-11(16)13(17)15-9-3-2-5-14-8-9/h2-8H,1H3,(H,15,17)
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n/an/a 6.15E+4n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236359
PNG
(CHEMBL4086085)
Show SMILES CC(=O)c1ccc(CN2CCC3(C2)CCNCC3)cc1
Show InChI InChI=1S/C17H24N2O/c1-14(20)16-4-2-15(3-5-16)12-19-11-8-17(13-19)6-9-18-10-7-17/h2-5,18H,6-13H2,1H3
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n/an/a 8.24E+4n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Displacement of [3H]GABA from Gamma-aminobutyric acid type B receptor in rat brain membranes


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236395
PNG
(CHEMBL4092567)
Show SMILES Cn1c(cc2occc12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C14H12N2O2/c1-16-11-7-8-18-13(11)9-12(16)14(17)15-10-5-3-2-4-6-10/h2-9H,1H3,(H,15,17)
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n/an/a 8.95E+4n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236382
PNG
(CHEMBL4061163)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1cccc(Oc2ccncc2)c1
Show InChI InChI=1S/C19H15N3O2S/c1-22-16-7-10-25-18(16)12-17(22)19(23)21-13-3-2-4-15(11-13)24-14-5-8-20-9-6-14/h2-12H,1H3,(H,21,23)
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n/an/a 8.99E+4n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236439
PNG
(CHEMBL4089451)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C15H13N3O2S/c1-18-11-5-6-21-13(11)8-12(18)15(20)17-10-4-2-3-9(7-10)14(16)19/h2-8H,1H3,(H2,16,19)(H,17,20)
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n/an/a 9.73E+4n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236427
PNG
(CHEMBL4097077)
Show SMILES Cn1ncc2cc(C(=O)Nc3ccccc3)n(C)c12
Show InChI InChI=1S/C14H14N4O/c1-17-12(8-10-9-15-18(2)14(10)17)13(19)16-11-6-4-3-5-7-11/h3-9H,1-2H3,(H,16,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 2


(Homo sapiens (Human))
BDBM50236366
PNG
(CHEMBL4083038)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1cccc(COc2ccc(OC3CCNCC3)cc2)c1
Show InChI InChI=1S/C26H27N3O3S/c1-29-23-11-14-33-25(23)16-24(29)26(30)28-19-4-2-3-18(15-19)17-31-20-5-7-21(8-6-20)32-22-9-12-27-13-10-22/h2-8,11,14-16,22,27H,9-10,12-13,17H2,1H3,(H,28,30)
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n/an/a>1.00E+5n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of KDM1B (unknown origin)


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236419
PNG
(CHEMBL4068190)
Show SMILES Cc1csc2cc(C(=O)Nc3ccccc3)n(C)c12
Show InChI InChI=1S/C15H14N2OS/c1-10-9-19-13-8-12(17(2)14(10)13)15(18)16-11-6-4-3-5-7-11/h3-9H,1-2H3,(H,16,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50236359
PNG
(CHEMBL4086085)
Show SMILES CC(=O)c1ccc(CN2CCC3(C2)CCNCC3)cc1
Show InChI InChI=1S/C17H24N2O/c1-14(20)16-4-2-15(3-5-16)12-19-11-8-17(13-19)6-9-18-10-7-17/h2-5,18H,6-13H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOA incubated for 15 mins measured after 30 mins by luminescence-Glo assay


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 2


(Homo sapiens (Human))
BDBM50240772
PNG
((1R,2S)-(-)-2-phenylcyclopropylamine | (1R,2S)-2-p...)
Show SMILES N[C@@H]1C[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of KDM1B (unknown origin)


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236414
PNG
(CHEMBL4067174)
Show SMILES Cc1sc2cc(C(=O)Nc3ccccc3)n(C)c2c1C
Show InChI InChI=1S/C16H16N2OS/c1-10-11(2)20-14-9-13(18(3)15(10)14)16(19)17-12-7-5-4-6-8-12/h4-9H,1-3H3,(H,17,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Stimulation of [35S]- GIPyS binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236394
PNG
(CHEMBL4085252)
Show SMILES Cn1c(cc2sc(Br)cc12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C14H11BrN2OS/c1-17-10-8-13(15)19-12(10)7-11(17)14(18)16-9-5-3-2-4-6-9/h2-8H,1H3,(H,16,18)
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European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236420
PNG
(CHEMBL4094625)
Show SMILES Cn1c(C(=O)Nc2ccccc2)c(Cl)c2sccc12
Show InChI InChI=1S/C14H11ClN2OS/c1-17-10-7-8-19-13(10)11(15)12(17)14(18)16-9-5-3-2-4-6-9/h2-8H,1H3,(H,16,18)
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European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236407
PNG
(CHEMBL4104794)
Show SMILES Cn1c(C(=O)Nc2ccccc2)c(I)c2sccc12
Show InChI InChI=1S/C14H11IN2OS/c1-17-10-7-8-19-13(10)11(15)12(17)14(18)16-9-5-3-2-4-6-9/h2-8H,1H3,(H,16,18)
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European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236363
PNG
(CHEMBL4086838)
Show SMILES Cn1c(nc2sccc12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C13H11N3OS/c1-16-10-7-8-18-13(10)15-11(16)12(17)14-9-5-3-2-4-6-9/h2-8H,1H3,(H,14,17)
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European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236435
PNG
(CHEMBL4091585)
Show SMILES CN(C)Cc1c(C(=O)Nc2ccccc2)n(C)c2ccsc12
Show InChI InChI=1S/C17H19N3OS/c1-19(2)11-13-15(20(3)14-9-10-22-16(13)14)17(21)18-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,18,21)
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European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236413
PNG
(CHEMBL4059828)
Show SMILES Cn1ccc2n(C)c(cc12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C15H15N3O/c1-17-9-8-12-13(17)10-14(18(12)2)15(19)16-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,16,19)
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European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236432
PNG
(CHEMBL4083800)
Show SMILES COCc1c(C(=O)Nc2ccccc2)n(C)c2ccsc12
Show InChI InChI=1S/C16H16N2O2S/c1-18-13-8-9-21-15(13)12(10-20-2)14(18)16(19)17-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,17,19)
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European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236392
PNG
(CHEMBL4062565)
Show SMILES Cn1c(cc2ncsc12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C13H11N3OS/c1-16-11(7-10-13(16)18-8-14-10)12(17)15-9-5-3-2-4-6-9/h2-8H,1H3,(H,15,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- 5-HT binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236421
PNG
(CHEMBL4063784)
Show SMILES CN(C)Cc1cc2n(C)c(cc2s1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C17H19N3OS/c1-19(2)11-13-9-14-16(22-13)10-15(20(14)3)17(21)18-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,18,21)
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European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236426
PNG
(CHEMBL4098084)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccncn1
Show InChI InChI=1S/C12H10N4OS/c1-16-8-3-5-18-10(8)6-9(16)12(17)15-11-2-4-13-7-14-11/h2-7H,1H3,(H,13,14,15,17)
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European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50236360
PNG
(CHEMBL4066708)
Show SMILES COCc1cccc(NC(=O)c2cc3sccc3n2C)c1
Show InChI InChI=1S/C16H16N2O2S/c1-18-13-6-7-21-15(13)9-14(18)16(19)17-12-5-3-4-11(8-12)10-20-2/h3-9H,10H2,1-2H3,(H,17,19)
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European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOA incubated for 15 mins measured after 30 mins by luminescence-Glo assay


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236391
PNG
(CHEMBL4082720)
Show SMILES Cn1c(cc2scnc12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C13H11N3OS/c1-16-10(7-11-12(16)14-8-18-11)13(17)15-9-5-3-2-4-6-9/h2-8H,1H3,(H,15,17)
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European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236408
PNG
(CHEMBL4101804)
Show SMILES Cc1c(C(=O)Nc2ccccc2)n(C)c2ccsc12
Show InChI InChI=1S/C15H14N2OS/c1-10-13(17(2)12-8-9-19-14(10)12)15(18)16-11-6-4-3-5-7-11/h3-9H,1-2H3,(H,16,18)
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European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236416
PNG
(CHEMBL4062367)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccn1
Show InChI InChI=1S/C13H11N3OS/c1-16-9-5-7-18-11(9)8-10(16)13(17)15-12-4-2-3-6-14-12/h2-8H,1H3,(H,14,15,17)
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European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236422
PNG
(CHEMBL4068273)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1cccc(Br)c1
Show InChI InChI=1S/C14H11BrN2OS/c1-17-11-5-6-19-13(11)8-12(17)14(18)16-10-4-2-3-9(15)7-10/h2-8H,1H3,(H,16,18)
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European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50236366
PNG
(CHEMBL4083038)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1cccc(COc2ccc(OC3CCNCC3)cc2)c1
Show InChI InChI=1S/C26H27N3O3S/c1-29-23-11-14-33-25(23)16-24(29)26(30)28-19-4-2-3-18(15-19)17-31-20-5-7-21(8-6-20)32-22-9-12-27-13-10-22/h2-8,11,14-16,22,27H,9-10,12-13,17H2,1H3,(H,28,30)
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European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOA incubated for 15 mins measured after 30 mins by luminescence-Glo assay


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50236365
PNG
(CHEMBL4090002)
Show SMILES CN1CCC(CC1)Oc1ccc(OCc2cccc(NC(=O)c3cc4sccc4n3C)c2)cc1
Show InChI InChI=1S/C27H29N3O3S/c1-29-13-10-23(11-14-29)33-22-8-6-21(7-9-22)32-18-19-4-3-5-20(16-19)28-27(31)25-17-26-24(30(25)2)12-15-34-26/h3-9,12,15-17,23H,10-11,13-14,18H2,1-2H3,(H,28,31)
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European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOA incubated for 15 mins measured after 30 mins by luminescence-Glo assay


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM254603
PNG
(US10214477, Example 5 | US9469597, 4 | US9670136, ...)
Show SMILES NC1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |wU:10.12,wD:8.8,(11.17,-2.23,;9.76,-2.86,;8.52,-1.95,;7.11,-2.58,;6.95,-4.11,;8.19,-5.02,;9.6,-4.39,;5.54,-4.74,;4.21,-3.97,;2.67,-3.97,;3.44,-2.64,;3.44,-1.1,;2.1,-.33,;2.1,1.21,;3.44,1.98,;4.77,1.21,;4.77,-.33,)|
Show InChI InChI=1S/C15H22N2/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10,16H2/t12?,13?,14-,15+/m0/s1
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European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB incubated for 15 mins measured after 30 mins by luminescence-Glo assay


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236409
PNG
(CHEMBL4100710)
Show SMILES Cn1cnc2n(C)c(cc12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C14H14N4O/c1-17-9-15-13-11(17)8-12(18(13)2)14(19)16-10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,19)
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European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 2


(Homo sapiens (Human))
BDBM50236360
PNG
(CHEMBL4066708)
Show SMILES COCc1cccc(NC(=O)c2cc3sccc3n2C)c1
Show InChI InChI=1S/C16H16N2O2S/c1-18-13-6-7-21-15(13)9-14(18)16(19)17-12-5-3-4-11(8-12)10-20-2/h3-9H,10H2,1-2H3,(H,17,19)
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European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of KDM1B (unknown origin)


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236440
PNG
(CHEMBL4082864)
Show SMILES O=C(Nc1ccccc1)c1cc2sccc2[nH]1
Show InChI InChI=1S/C13H10N2OS/c16-13(14-9-4-2-1-3-5-9)11-8-12-10(15-11)6-7-17-12/h1-8,15H,(H,14,16)
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European Institute of Oncology

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1b adrenergic receptor


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236423
PNG
(CHEMBL4062294)
Show SMILES Cn1c(C(=O)Nc2ccccc2)c(I)c2sc(I)cc12
Show InChI InChI=1S/C14H10I2N2OS/c1-18-9-7-10(15)20-13(9)11(16)12(18)14(19)17-8-5-3-2-4-6-8/h2-7H,1H3,(H,17,19)
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European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236438
PNG
(CHEMBL4089369)
Show SMILES Cc1cc2n(C)c(cc2s1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C15H14N2OS/c1-10-8-12-14(19-10)9-13(17(12)2)15(18)16-11-6-4-3-5-7-11/h3-9H,1-2H3,(H,16,18)
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European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236428
PNG
(CHEMBL4071002)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ncccn1
Show InChI InChI=1S/C12H10N4OS/c1-16-8-3-6-18-10(8)7-9(16)11(17)15-12-13-4-2-5-14-12/h2-7H,1H3,(H,13,14,15,17)
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European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236364
PNG
(CHEMBL4072561)
Show SMILES O=C(Nc1ccccc1)c1ccc2sccc2c1
Show InChI InChI=1S/C15H11NOS/c17-15(16-13-4-2-1-3-5-13)12-6-7-14-11(10-12)8-9-18-14/h1-10H,(H,16,17)
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European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236424
PNG
(CHEMBL4081750)
Show SMILES Cn1cnc2[nH]c(cc12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C13H12N4O/c1-17-8-14-12-11(17)7-10(16-12)13(18)15-9-5-3-2-4-6-9/h2-8,16H,1H3,(H,15,18)
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European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of [3H]raclopride binding to Dopamine receptor D2 of rat striatum membranes


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236390
PNG
(CHEMBL4098550)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1cccc(COc2ccccc2)c1
Show InChI InChI=1S/C21H18N2O2S/c1-23-18-10-11-26-20(18)13-19(23)21(24)22-16-7-5-6-15(12-16)14-25-17-8-3-2-4-9-17/h2-13H,14H2,1H3,(H,22,24)
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European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 2


(Homo sapiens (Human))
BDBM50236365
PNG
(CHEMBL4090002)
Show SMILES CN1CCC(CC1)Oc1ccc(OCc2cccc(NC(=O)c3cc4sccc4n3C)c2)cc1
Show InChI InChI=1S/C27H29N3O3S/c1-29-13-10-23(11-14-29)33-22-8-6-21(7-9-22)32-18-19-4-3-5-20(16-19)28-27(31)25-17-26-24(30(25)2)12-15-34-26/h3-9,12,15-17,23H,10-11,13-14,18H2,1-2H3,(H,28,31)
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European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of KDM1B (unknown origin)


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236415
PNG
(CHEMBL4060986)
Show SMILES O=C(Nc1ccccc1)c1cc2sccc2n1-c1ccccc1
Show InChI InChI=1S/C19H14N2OS/c22-19(20-14-7-3-1-4-8-14)17-13-18-16(11-12-23-18)21(17)15-9-5-2-6-10-15/h1-13H,(H,20,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236433
PNG
(CHEMBL4086914)
Show SMILES Cn1c(cc2sc(I)cc12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C14H11IN2OS/c1-17-10-8-13(15)19-12(10)7-11(17)14(18)16-9-5-3-2-4-6-9/h2-8H,1H3,(H,16,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- 5-HT binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236434
PNG
(CHEMBL4090294)
Show SMILES Cn1c(cc2sc(F)cc12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C14H11FN2OS/c1-17-10-8-13(15)19-12(10)7-11(17)14(18)16-9-5-3-2-4-6-9/h2-8H,1H3,(H,16,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236418
PNG
(CHEMBL4079059)
Show SMILES O=C(Nc1ccccc1)c1cc2sccc2s1
Show InChI InChI=1S/C13H9NOS2/c15-13(14-9-4-2-1-3-5-9)12-8-11-10(17-12)6-7-16-11/h1-8H,(H,14,15)
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n/an/a>1.00E+5n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236411
PNG
(CHEMBL4094956)
Show SMILES O=C(Nc1ccccc1)c1cc2sccc2n1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H14N2O3S2/c22-19(20-14-7-3-1-4-8-14)17-13-18-16(11-12-25-18)21(17)26(23,24)15-9-5-2-6-10-15/h1-13H,(H,20,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236436
PNG
(CHEMBL4090360)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccncc1
Show InChI InChI=1S/C13H11N3OS/c1-16-10-4-7-18-12(10)8-11(16)13(17)15-9-2-5-14-6-3-9/h2-8H,1H3,(H,14,15,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%