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Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50045778   
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))
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



Sapienza University of Roma

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin)


ACS Med Chem Lett 6: 173-7 (2015)


Article DOI: 10.1021/ml500424z
BindingDB Entry DOI: 10.7270/Q2833TQM
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50080870
PNG
(CHEMBL3421673)
Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 |r|
Show InChI InChI=1/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)/t22-,23+,24-/s2
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n/an/a 30n/an/an/an/an/an/a



Sapienza University of Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LSD1 expressed in Escherichia coli using H3-H4 peptide as substrate assessed as H2O2 produced after 15 mins by amplex...


ACS Med Chem Lett 6: 173-7 (2015)


Article DOI: 10.1021/ml500424z
BindingDB Entry DOI: 10.7270/Q2833TQM
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50080872
PNG
(CHEMBL3421675)
Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 |r|
Show InChI InChI=1/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)/t22-,23+,24+/s2
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Sapienza University of Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LSD1 expressed in Escherichia coli using H3-H4 peptide as substrate assessed as H2O2 produced after 15 mins by amplex...


ACS Med Chem Lett 6: 173-7 (2015)


Article DOI: 10.1021/ml500424z
BindingDB Entry DOI: 10.7270/Q2833TQM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50080871
PNG
(CHEMBL3421672)
Show SMILES Cl.N[C@H]1C[C@@H]1c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 |r|
Show InChI InChI=1/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)/t22-,23+,24+/s2
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n/an/a 110n/an/an/an/an/an/a



Sapienza University of Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 15 mins prior to substrate addition measured after 30 mins by lumines...


ACS Med Chem Lett 6: 173-7 (2015)


Article DOI: 10.1021/ml500424z
BindingDB Entry DOI: 10.7270/Q2833TQM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50080870
PNG
(CHEMBL3421673)
Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 |r|
Show InChI InChI=1/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)/t22-,23+,24-/s2
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n/an/a 140n/an/an/an/an/an/a



Sapienza University of Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 15 mins prior to substrate addition measured after 30 mins by lumines...


ACS Med Chem Lett 6: 173-7 (2015)


Article DOI: 10.1021/ml500424z
BindingDB Entry DOI: 10.7270/Q2833TQM
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(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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n/an/a 150n/an/an/an/an/an/a



Sapienza University of Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LSD1 expressed in Escherichia coli using H3-H4 peptide as substrate assessed as H2O2 produced after 15 mins by amplex...


ACS Med Chem Lett 6: 173-7 (2015)


Article DOI: 10.1021/ml500424z
BindingDB Entry DOI: 10.7270/Q2833TQM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50080873
PNG
(CHEMBL3421674)
Show SMILES Cl.N[C@H]1C[C@@H]1c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 |r|
Show InChI InChI=1/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)/t22-,23+,24-/s2
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n/an/a 200n/an/an/an/an/an/a



Sapienza University of Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 15 mins prior to substrate addition measured after 30 mins by lumines...


ACS Med Chem Lett 6: 173-7 (2015)


Article DOI: 10.1021/ml500424z
BindingDB Entry DOI: 10.7270/Q2833TQM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50080872
PNG
(CHEMBL3421675)
Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 |r|
Show InChI InChI=1/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)/t22-,23+,24+/s2
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n/an/a 220n/an/an/an/an/an/a



Sapienza University of Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 15 mins prior to substrate addition measured after 30 mins by lumines...


ACS Med Chem Lett 6: 173-7 (2015)


Article DOI: 10.1021/ml500424z
BindingDB Entry DOI: 10.7270/Q2833TQM
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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n/an/a 320n/an/an/an/an/an/a



Sapienza University of Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 15 mins prior to substrate addition measured after 30 mins by lumines...


ACS Med Chem Lett 6: 173-7 (2015)


Article DOI: 10.1021/ml500424z
BindingDB Entry DOI: 10.7270/Q2833TQM
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50080871
PNG
(CHEMBL3421672)
Show SMILES Cl.N[C@H]1C[C@@H]1c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 |r|
Show InChI InChI=1/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)/t22-,23+,24+/s2
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n/an/a 360n/an/an/an/an/an/a



Sapienza University of Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LSD1 expressed in Escherichia coli using H3-H4 peptide as substrate assessed as H2O2 produced after 15 mins by amplex...


ACS Med Chem Lett 6: 173-7 (2015)


Article DOI: 10.1021/ml500424z
BindingDB Entry DOI: 10.7270/Q2833TQM
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50080873
PNG
(CHEMBL3421674)
Show SMILES Cl.N[C@H]1C[C@@H]1c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 |r|
Show InChI InChI=1/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)/t22-,23+,24-/s2
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n/an/a 390n/an/an/an/an/an/a



Sapienza University of Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LSD1 expressed in Escherichia coli using H3-H4 peptide as substrate assessed as H2O2 produced after 15 mins by amplex...


ACS Med Chem Lett 6: 173-7 (2015)


Article DOI: 10.1021/ml500424z
BindingDB Entry DOI: 10.7270/Q2833TQM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50080870
PNG
(CHEMBL3421673)
Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 |r|
Show InChI InChI=1/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)/t22-,23+,24-/s2
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n/an/a 3.20E+4n/an/an/an/an/an/a



Sapienza University of Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in Pichia pastoris incubated for 15 mins prior to substrate addition measured after 30 mins by lumines...


ACS Med Chem Lett 6: 173-7 (2015)


Article DOI: 10.1021/ml500424z
BindingDB Entry DOI: 10.7270/Q2833TQM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50080871
PNG
(CHEMBL3421672)
Show SMILES Cl.N[C@H]1C[C@@H]1c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 |r|
Show InChI InChI=1/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)/t22-,23+,24+/s2
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n/an/a 4.27E+4n/an/an/an/an/an/a



Sapienza University of Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in Pichia pastoris incubated for 15 mins prior to substrate addition measured after 30 mins by lumines...


ACS Med Chem Lett 6: 173-7 (2015)


Article DOI: 10.1021/ml500424z
BindingDB Entry DOI: 10.7270/Q2833TQM
More data for this
Ligand-Target Pair