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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific histone demethylase 1A' and Ligand = 'BDBM50113851'   
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))
BDBM50113851
PNG
((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...)
Show SMILES NC1CC1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2
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Article
PubMed
2.50E+4n/an/an/an/an/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged full length LSD1 expressed in Escherichia coli BL21 (DE3) assessed as inactivation constant preincubated f...


Bioorg Med Chem 19: 3709-16 (2011)


Article DOI: 10.1016/j.bmc.2011.02.017
BindingDB Entry DOI: 10.7270/Q2J38SWT
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50113851
PNG
((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...)
Show SMILES NC1CC1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2
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2.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human LSD1 catalytic domain


Eur J Med Chem 56: 179-194 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.010
BindingDB Entry DOI: 10.7270/Q2TQ62NX
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50113851
PNG
((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...)
Show SMILES NC1CC1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2
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n/an/a 1.16E+4n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli assessed as reduction in H2O2 release using synthetic mono-methylated H3-K...


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50113851
PNG
((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...)
Show SMILES NC1CC1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2
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n/an/a 3.10E+4n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Inhibition of human LSD1 using H3K4 peptide as substrate by peroxidase-coupled assay


Bioorg Med Chem Lett 26: 1193-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.036
BindingDB Entry DOI: 10.7270/Q2833TWV
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50113851
PNG
((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...)
Show SMILES NC1CC1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2
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n/an/a 3.10E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin)


J Med Chem 58: 7611-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00229
BindingDB Entry DOI: 10.7270/Q2QZ2CSD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50113851
PNG
((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...)
Show SMILES NC1CC1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2
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PubMed
n/an/a 3.20E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal hexahistidine-tagged human LSD1 (1 to 852 amino acid residues) expressed in Escherichia coli BL21 (DE3) using H3K4me2 peptid...


J Med Chem 58: 7611-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00229
BindingDB Entry DOI: 10.7270/Q2QZ2CSD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50113851
PNG
((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...)
Show SMILES NC1CC1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LSD1 assessed as effect on H2O2 production incubated for 30 mins using methylated peptide substrate, Amplex red reage...


Bioorg Med Chem Lett 25: 1925-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50113851
PNG
((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...)
Show SMILES NC1CC1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2
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n/an/a 1.84E+5n/an/an/an/an/an/a



RIKEN Systems and Structural Biology Center



Assay Description
The kinetic inhibition parameters of LSD1 demethylase inhibition were obtained using the peroxidase-coupled reaction method.


Biochemistry 49: 6494-503 (2010)


Article DOI: 10.1021/bi100299r
BindingDB Entry DOI: 10.7270/Q2PK0DSZ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50113851
PNG
((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...)
Show SMILES NC1CC1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2
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n/an/a 2.42E+5n/an/an/an/an/an/a



John Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LSD1 after 30 mins to 4 hrs by fluorescence assay


Bioorg Med Chem 23: 1601-12 (2015)


Article DOI: 10.1016/j.bmc.2015.01.049
BindingDB Entry DOI: 10.7270/Q25Q4XSD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50113851
PNG
((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...)
Show SMILES NC1CC1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2
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n/an/a 2.42E+5n/an/an/an/an/an/a



John Hopkins University

Curated by ChEMBL


Assay Description
Irreversible inhibition of LSD1 (unknown origin)


Bioorg Med Chem 23: 1601-12 (2015)


Article DOI: 10.1016/j.bmc.2015.01.049
BindingDB Entry DOI: 10.7270/Q25Q4XSD
More data for this
Ligand-Target Pair