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Compile Data Set for Download or QSAR

Found 107 hits Enz. Inhib. hit(s) with all data for entry = 50013677   
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


(Homo sapiens (Human))
BDBM50568522
PNG
(CHEMBL4864352)
Show SMILES CN1CCN(CC1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCc1ccccc1
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370n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human LSD1 (172 to 833 residues) using Lys4-dimethylated H3 (1-20) peptide as substrate incubated for 30 mins by peroxidase-coupled ass...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50346586
PNG
(CHEMBL1795981 | US8765820, 5a)
Show SMILES NC1CC1c1ccc(NC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C17H18N2O2/c18-16-10-15(16)13-6-8-14(9-7-13)19-17(20)21-11-12-4-2-1-3-5-12/h1-9,15-16H,10-11,18H2,(H,19,20)
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500n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in Pichia pastoris using kynuramine as substrate by peroxidase-coupled method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50568521
PNG
(CHEMBL4878787)
Show SMILES N[C@H]1CCN(C1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCc1ccccc1 |r|
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560n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human LSD1 (172 to 833 residues) using Lys4-dimethylated H3 (1-20) peptide as substrate incubated for 30 mins by peroxidase-coupled ass...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50346585
PNG
(CHEMBL1795980 | S2101)
Show SMILES NC1CC1c1cc(F)cc(F)c1OCc1ccccc1
Show InChI InChI=1S/C16H15F2NO/c17-11-6-13(12-8-15(12)19)16(14(18)7-11)20-9-10-4-2-1-3-5-10/h1-7,12,15H,8-9,19H2
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610n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of hexahistidine-tagged human LSD1 (172 to 833 residues) expressed in Escherichia coli Rosetta (DE3) cells using H3K4me2 peptide as substr...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50346585
PNG
(CHEMBL1795980 | S2101)
Show SMILES NC1CC1c1cc(F)cc(F)c1OCc1ccccc1
Show InChI InChI=1S/C16H15F2NO/c17-11-6-13(12-8-15(12)19)16(14(18)7-11)20-9-10-4-2-1-3-5-10/h1-7,12,15H,8-9,19H2
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880n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human LSD1 (172 to 833 residues) using Lys4-dimethylated H3 (1-20) peptide as substrate incubated for 30 mins by peroxidase-coupled ass...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50346863
PNG
(CHEMBL1797640 | US8765820, 5b)
Show SMILES NC1CC1c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C16H16N2O/c17-15-10-14(15)11-6-8-13(9-7-11)18-16(19)12-4-2-1-3-5-12/h1-9,14-15H,10,17H2,(H,18,19)
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1.10E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human LSD1/CoREST expressed in Escherichia coli using histone H3 peptide monomethylated at Lys4 as substrate by peroxidase-coupled assa...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50346864
PNG
(CHEMBL1797641 | CHEMBL3104337 | US8765820, 8)
Show SMILES NC1CC1c1ccc(NC(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C26H27N3O3/c27-23-16-22(23)20-11-13-21(14-12-20)28-25(30)24(15-18-7-3-1-4-8-18)29-26(31)32-17-19-9-5-2-6-10-19/h1-14,22-24H,15-17,27H2,(H,28,30)(H,29,31)
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1.20E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in Pichia pastoris using kynuramine as substrate by peroxidase-coupled method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50346864
PNG
(CHEMBL1797641 | CHEMBL3104337 | US8765820, 8)
Show SMILES NC1CC1c1ccc(NC(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C26H27N3O3/c27-23-16-22(23)20-11-13-21(14-12-20)28-25(30)24(15-18-7-3-1-4-8-18)29-26(31)32-17-19-9-5-2-6-10-19/h1-14,22-24H,15-17,27H2,(H,28,30)(H,29,31)
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1.30E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human LSD1/CoREST expressed in Escherichia coli using histone H3 peptide monomethylated at Lys4 as substrate by peroxidase-coupled assa...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50158869
PNG
(CHEMBL3786182 | US10836743, Compound GSK-2879552 |...)
Show SMILES OC(=O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 |r|
Show InChI InChI=1S/C23H28N2O2/c26-23(27)20-8-6-18(7-9-20)16-25-12-10-17(11-13-25)15-24-22-14-21(22)19-4-2-1-3-5-19/h1-9,17,21-22,24H,10-16H2,(H,26,27)/t21-,22+/m0/s1
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1.70E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LSD1 (unknown origin) using H3K4(diMe) peptide as substrate measured after 60 mins by amplex red dye based HRP-coupled assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50346586
PNG
(CHEMBL1795981 | US8765820, 5a)
Show SMILES NC1CC1c1ccc(NC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C17H18N2O2/c18-16-10-15(16)13-6-8-14(9-7-13)19-17(20)21-11-12-4-2-1-3-5-12/h1-9,15-16H,10-11,18H2,(H,19,20)
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1.90E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human LSD1/CoREST expressed in Escherichia coli using histone H3 peptide monomethylated at Lys4 as substrate by peroxidase-coupled assa...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50346863
PNG
(CHEMBL1797640 | US8765820, 5b)
Show SMILES NC1CC1c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C16H16N2O/c17-15-10-14(15)11-6-8-13(9-7-11)18-16(19)12-4-2-1-3-5-12/h1-9,14-15H,10,17H2,(H,18,19)
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2.30E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in Pichia pastoris using kynuramine as substrate by peroxidase-coupled method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50346866
PNG
(CHEMBL1797643 | S1201)
Show SMILES NC1CC1c1cccc(F)c1OCc1ccccc1
Show InChI InChI=1S/C16H16FNO/c17-14-8-4-7-12(13-9-15(13)18)16(14)19-10-11-5-2-1-3-6-11/h1-8,13,15H,9-10,18H2
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2.40E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of hexahistidine-tagged human LSD1 (172 to 833 residues) expressed in Escherichia coli Rosetta (DE3) cells using H3K4me2 peptide as substr...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50346863
PNG
(CHEMBL1797640 | US8765820, 5b)
Show SMILES NC1CC1c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C16H16N2O/c17-15-10-14(15)11-6-8-13(9-7-11)18-16(19)12-4-2-1-3-5-12/h1-9,14-15H,10,17H2,(H,18,19)
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3.50E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-B expressed in Pichia pastoris using benzylamine as substrate by peroxidase-coupled method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50346586
PNG
(CHEMBL1795981 | US8765820, 5a)
Show SMILES NC1CC1c1ccc(NC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C17H18N2O2/c18-16-10-15(16)13-6-8-14(9-7-13)19-17(20)21-11-12-4-2-1-3-5-12/h1-9,15-16H,10-11,18H2,(H,19,20)
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7.40E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-B expressed in Pichia pastoris using benzylamine as substrate by peroxidase-coupled method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50346865
PNG
(2-PFPA | CHEMBL1797642)
Show SMILES NC1CC1c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C9H6F5N/c10-5-4(2-1-3(2)15)6(11)8(13)9(14)7(5)12/h2-3H,1,15H2
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8.30E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human MAO-B expressed in expressed in baculovirus infected BTI insect cells using tyramine as substrate by peroxidase-coupled method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
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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1.60E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human MAO-B expressed in baculovirus infected BTI insect cells using tyramine as substrate by 4-AAP/3,5-DCHBS and amplex red dye based ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50346585
PNG
(CHEMBL1795980 | S2101)
Show SMILES NC1CC1c1cc(F)cc(F)c1OCc1ccccc1
Show InChI InChI=1S/C16H15F2NO/c17-11-6-13(12-8-15(12)19)16(14(18)7-11)20-9-10-4-2-1-3-5-10/h1-7,12,15H,8-9,19H2
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1.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human MAO-B expressed in expressed in baculovirus infected BTI insect cells using tyramine as substrate by peroxidase-coupled method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50346865
PNG
(2-PFPA | CHEMBL1797642)
Show SMILES NC1CC1c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C9H6F5N/c10-5-4(2-1-3(2)15)6(11)8(13)9(14)7(5)12/h2-3H,1,15H2
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1.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of hexahistidine-tagged human LSD1 (172 to 833 residues) expressed in Escherichia coli Rosetta (DE3) cells using H3K4me2 peptide as substr...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1B


(Mus musculus)
BDBM50346586
PNG
(CHEMBL1795981 | US8765820, 5a)
Show SMILES NC1CC1c1ccc(NC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C17H18N2O2/c18-16-10-15(16)13-6-8-14(9-7-13)19-17(20)21-11-12-4-2-1-3-5-12/h1-9,15-16H,10-11,18H2,(H,19,20)
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2.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant mouse LSD2 expressed in Escherichia coli using histone H3 peptide dimethylated at Lys4 as substrate by peroxidase-coupled a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50346585
PNG
(CHEMBL1795980 | S2101)
Show SMILES NC1CC1c1cc(F)cc(F)c1OCc1ccccc1
Show InChI InChI=1S/C16H15F2NO/c17-11-6-13(12-8-15(12)19)16(14(18)7-11)20-9-10-4-2-1-3-5-10/h1-7,12,15H,8-9,19H2
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3.30E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human MAO-B expressed in expressed in baculovirus infected BTI insect cells using tyramine as substrate incubated for 30 mins by fluore...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1B


(Mus musculus)
BDBM50346864
PNG
(CHEMBL1797641 | CHEMBL3104337 | US8765820, 8)
Show SMILES NC1CC1c1ccc(NC(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C26H27N3O3/c27-23-16-22(23)20-11-13-21(14-12-20)28-25(30)24(15-18-7-3-1-4-8-18)29-26(31)32-17-19-9-5-2-6-10-19/h1-14,22-24H,15-17,27H2,(H,28,30)(H,29,31)
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3.80E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant mouse LSD2 expressed in Escherichia coli using histone H3 peptide dimethylated at Lys4 as substrate by peroxidase-coupled a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50346866
PNG
(CHEMBL1797643 | S1201)
Show SMILES NC1CC1c1cccc(F)c1OCc1ccccc1
Show InChI InChI=1S/C16H16FNO/c17-14-8-4-7-12(13-9-15(13)18)16(14)19-10-11-5-2-1-3-6-11/h1-8,13,15H,9-10,18H2
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4.20E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human MAO-B expressed in expressed in baculovirus infected BTI insect cells using tyramine as substrate by peroxidase-coupled method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1B


(Mus musculus)
BDBM50346863
PNG
(CHEMBL1797640 | US8765820, 5b)
Show SMILES NC1CC1c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C16H16N2O/c17-15-10-14(15)11-6-8-13(9-7-11)18-16(19)12-4-2-1-3-5-12/h1-9,14-15H,10,17H2,(H,18,19)
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6.10E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant mouse LSD2 expressed in Escherichia coli using histone H3 peptide dimethylated at Lys4 as substrate by peroxidase-coupled a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50346866
PNG
(CHEMBL1797643 | S1201)
Show SMILES NC1CC1c1cccc(F)c1OCc1ccccc1
Show InChI InChI=1S/C16H16FNO/c17-14-8-4-7-12(13-9-15(13)18)16(14)19-10-11-5-2-1-3-6-11/h1-8,13,15H,9-10,18H2
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6.40E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human MAO-A expressed in expressed in baculovirus infected BTI insect cells using tyramine as substrate by peroxidase-coupled method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50346585
PNG
(CHEMBL1795980 | S2101)
Show SMILES NC1CC1c1cc(F)cc(F)c1OCc1ccccc1
Show InChI InChI=1S/C16H15F2NO/c17-11-6-13(12-8-15(12)19)16(14(18)7-11)20-9-10-4-2-1-3-5-10/h1-7,12,15H,8-9,19H2
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7.10E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human MAO-A expressed in baculovirus infected BTI insect cells using tyramine as substrate incubated for 30 mins by peroxidase-coupled ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
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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1.02E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human MAO-A expressed in baculovirus infected BTI insect cells using tyramine as substrate by 4-AAP/3,5-DCHBS and amplex red dye based ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50346585
PNG
(CHEMBL1795980 | S2101)
Show SMILES NC1CC1c1cc(F)cc(F)c1OCc1ccccc1
Show InChI InChI=1S/C16H15F2NO/c17-11-6-13(12-8-15(12)19)16(14(18)7-11)20-9-10-4-2-1-3-5-10/h1-7,12,15H,8-9,19H2
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1.10E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human MAO-A expressed in expressed in baculovirus infected BTI insect cells using tyramine as substrate by peroxidase-coupled method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(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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2.43E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal 6histidine-tagged LSD1 (unknown origin) expressed in Escherichia coli BL21(DE3) cells assessed as reduction in Peroxide prod...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50568522
PNG
(CHEMBL4864352)
Show SMILES CN1CCN(CC1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCc1ccccc1
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>2.50E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human MAO-A expressed in baculovirus infected BTI insect cells using tyramine as substrate incubated for 30 mins by peroxidase-coupled ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50568521
PNG
(CHEMBL4878787)
Show SMILES N[C@H]1CCN(C1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCc1ccccc1 |r|
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>2.50E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human MAO-A expressed in baculovirus infected BTI insect cells using tyramine as substrate incubated for 30 mins by peroxidase-coupled ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 2


(Homo sapiens (Human))
BDBM50568522
PNG
(CHEMBL4864352)
Show SMILES CN1CCN(CC1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCc1ccccc1
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>2.50E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LSD2 (unknown origin) using Lys4-dimethylated H3 (1-20) peptide as substrate incubated for 30 mins by peroxidase-coupled assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 2


(Homo sapiens (Human))
BDBM50568521
PNG
(CHEMBL4878787)
Show SMILES N[C@H]1CCN(C1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCc1ccccc1 |r|
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>2.50E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LSD2 (unknown origin) using Lys4-dimethylated H3 (1-20) peptide as substrate incubated for 30 mins by peroxidase-coupled assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 2


(Homo sapiens (Human))
BDBM50346585
PNG
(CHEMBL1795980 | S2101)
Show SMILES NC1CC1c1cc(F)cc(F)c1OCc1ccccc1
Show InChI InChI=1S/C16H15F2NO/c17-11-6-13(12-8-15(12)19)16(14(18)7-11)20-9-10-4-2-1-3-5-10/h1-7,12,15H,8-9,19H2
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>2.50E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LSD2 (unknown origin) using Lys4-dimethylated H3 (1-20) peptide as substrate incubated for 30 mins by peroxidase-coupled assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50568521
PNG
(CHEMBL4878787)
Show SMILES N[C@H]1CCN(C1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCc1ccccc1 |r|
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>2.50E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human MAO-B expressed in expressed in baculovirus infected BTI insect cells using tyramine as substrate incubated for 30 mins by fluore...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50568522
PNG
(CHEMBL4864352)
Show SMILES CN1CCN(CC1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCc1ccccc1
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>2.50E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human MAO-B expressed in expressed in baculovirus infected BTI insect cells using tyramine as substrate incubated for 30 mins by fluore...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50346865
PNG
(2-PFPA | CHEMBL1797642)
Show SMILES NC1CC1c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C9H6F5N/c10-5-4(2-1-3(2)15)6(11)8(13)9(14)7(5)12/h2-3H,1,15H2
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2.70E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human MAO-A expressed in expressed in baculovirus infected BTI insect cells using tyramine as substrate by peroxidase-coupled method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50568531
PNG
(CHEMBL4855475)
Show SMILES Fc1ccccc1CNC1CC11CCc2ccccc12
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n/an/a 1.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human LSD1 (172 to 852 residues) using Bio-H3K4me2 (1 to 24 residues) as substrate incubated for 1 hr by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50568523
PNG
(CHEMBL4875015)
Show SMILES Cl.Cn1cc(cn1)C(=O)Nc1ccc(cc1)[C@@H]1C[C@H]1NCC1CC1 |r|
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n/an/a 2.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His-SUMO tagged human LSD1 (172 to 852 residues)/His-tagged CoREST (286 to 482 residues) expressed in Escherichia coli BL21 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50568527
PNG
(CHEMBL4861378)
Show SMILES COc1ccccc1CNC1CC11CCc2ccccc12
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n/an/a 2.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human LSD1 (172 to 852 residues) using Bio-H3K4me2 (1 to 24 residues) as substrate incubated for 1 hr by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50568520
PNG
(CHEMBL4851520)
Show SMILES CN1CCN(CC1)C(=O)CN[C@@H]1C[C@H]1c1ccc(F)nc1 |r|
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged human LSD1 (158 to end residues) expressed in Escherichia coli using biotinylated H3K4Me2 peptide as substrate pr...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50568529
PNG
(CHEMBL4851339)
Show SMILES COc1ccc(CNC2CC22CCc3ccccc23)cc1OC
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human LSD1 (172 to 852 residues) using Bio-H3K4me2 (1 to 24 residues) as substrate incubated for 1 hr by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50568520
PNG
(CHEMBL4851520)
Show SMILES CN1CCN(CC1)C(=O)CN[C@@H]1C[C@H]1c1ccc(F)nc1 |r|
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n/an/a 7n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged human LSD1 (158 to end residues) expressed in Escherichia coli using (NH2-ARTK(me2)-QTARKSTGGKAPRKQKA-COOH as sub...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50568528
PNG
(CHEMBL4872682)
Show SMILES COc1ccc(Br)cc1CNC1CC11CCc2ccccc12
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n/an/a 9.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human LSD1 (172 to 852 residues) using Bio-H3K4me2 (1 to 24 residues) as substrate incubated for 1 hr by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50541502
PNG
(CHEMBL4303296)
Show SMILES CN1CCN(CC1)C(=O)CN[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C23H29N3O2/c1-25-11-13-26(14-12-25)23(27)16-24-22-15-21(22)19-7-9-20(10-8-19)28-17-18-5-3-2-4-6-18/h2-10,21-22,24H,11-17H2,1H3/t21-,22+/m0/s1
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged human LSD1 (158 to end residues) expressed in Escherichia coli using biotinylated H3K4Me2 peptide as substrate pr...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50568519
PNG
(CHEMBL4875187)
Show SMILES Cl.Cl.N[C@H]1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |r,wU:10.8,3.0,wD:12.12,(31.53,-9.55,;24.43,-15.6,;29.88,-10.3,;28.55,-11.07,;28.54,-12.61,;27.21,-13.37,;25.88,-12.59,;25.87,-11.06,;27.21,-10.29,;24.55,-13.36,;23.21,-12.59,;22.44,-11.25,;21.67,-12.59,;20.34,-13.35,;19.01,-12.58,;17.68,-13.35,;17.68,-14.89,;19.02,-15.66,;20.35,-14.89,)|
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n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged human recombinant LSD1 (158 to end residues) expressed in Escherichia coli using H3K4me2 peptide substrate preinc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50541502
PNG
(CHEMBL4303296)
Show SMILES CN1CCN(CC1)C(=O)CN[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C23H29N3O2/c1-25-11-13-26(14-12-25)23(27)16-24-22-15-21(22)19-7-9-20(10-8-19)28-17-18-5-3-2-4-6-18/h2-10,21-22,24H,11-17H2,1H3/t21-,22+/m0/s1
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n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged human LSD1 (158 to end residues) expressed in Escherichia coli using (NH2-ARTK(me2)-QTARKSTGGKAPRKQKA-COOH as sub...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50568523
PNG
(CHEMBL4875015)
Show SMILES Cl.Cn1cc(cn1)C(=O)Nc1ccc(cc1)[C@@H]1C[C@H]1NCC1CC1 |r|
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n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His-SUMO tagged human LSD1 (172 to 852 residues) expressed in Escherichia coli BL21 (DE3) using ART(mK)QTARKSTGGKAPRKQLAGGK-...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50158869
PNG
(CHEMBL3786182 | US10836743, Compound GSK-2879552 |...)
Show SMILES OC(=O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 |r|
Show InChI InChI=1S/C23H28N2O2/c26-23(27)20-8-6-18(7-9-20)16-25-12-10-17(11-13-25)15-24-22-14-21(22)19-4-2-1-3-5-19/h1-9,17,21-22,24H,10-16H2,(H,26,27)/t21-,22+/m0/s1
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MCE
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UniChem

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Article
PubMed
n/an/a 24n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LSD1 (unknown origin) using H3K4(diMe) peptide as substrate measured after 60 mins by amplex red dye based HRP-coupled assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50548033
PNG
(CHEMBL4743670)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(cc1)[C@H]1C[C@@H]1NCc1ccccc1 |r|
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n/an/a 29n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human LSD1 expressed in Escherichia coli BL21 (DE3) cells using (ARTK(diMe)QTARKSTGGKAPRKQLA peptide as substrate incubated for 30 mins...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50568520
PNG
(CHEMBL4851520)
Show SMILES CN1CCN(CC1)C(=O)CN[C@@H]1C[C@H]1c1ccc(F)nc1 |r|
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n/an/a 31n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged human LSD1 (158 to end residues) expressed in Escherichia coli using (NH2-ARTK(me2)-QTARKSTGGKAPRKQKA-COOH as sub...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
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