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PubMed code 21382717

Compile data set for download or QSAR
Found 19 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


(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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PubMed
2.00E+3n/an/an/an/an/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Inhibition of human LSD1


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))
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+3n/an/an/an/an/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Inhibition of human LSD1


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))
BDBM50346584
PNG
(CHEMBL1795979)
Show SMILES NC1CC1c1cccc(OCCC[C@H](NC(=O)c2ccccc2)C(=O)NCc2ccccc2)c1 |r|
Show InChI InChI=1S/C28H31N3O3/c29-25-18-24(25)22-13-7-14-23(17-22)34-16-8-15-26(31-27(32)21-11-5-2-6-12-21)28(33)30-19-20-9-3-1-4-10-20/h1-7,9-14,17,24-26H,8,15-16,18-19,29H2,(H,30,33)(H,31,32)/t24?,25?,26-/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Inhibition of human LSD1


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))
BDBM50346589
PNG
(CHEMBL1795974 | CHEMBL255520)
Show SMILES N[C@@H]1C[C@H]1c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C9H10BrN/c10-7-3-1-6(2-4-7)8-5-9(8)11/h1-4,8-9H,5,11H2/t8-,9+/m0/s1
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3.70E+3n/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))
BDBM50346583
PNG
(CHEMBL1795978)
Show SMILES O=C(CNC1CC1c1ccccc1)NC1CC1
Show InChI InChI=1S/C14H18N2O/c17-14(16-11-6-7-11)9-15-13-8-12(13)10-4-2-1-3-5-10/h1-5,11-13,15H,6-9H2,(H,16,17)
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6.00E+3n/an/an/an/an/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Inhibition of human LSD1


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))
BDBM50346591
PNG
(CHEMBL1795982)
Show SMILES N[C@@H]1C[C@H]1c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C15H15N/c16-15-10-14(15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14-15H,10,16H2/t14-,15+/m0/s1
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6.80E+3n/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))
BDBM50346582
PNG
(CHEMBL1795977)
Show SMILES NC1CC1c1cccc2ccccc12
Show InChI InChI=1S/C13H13N/c14-13-8-12(13)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-13H,8,14H2
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8.00E+3n/an/an/an/an/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Inhibition of human LSD1


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))
BDBM50346590
PNG
(CHEMBL1795975)
Show SMILES N[C@@H]1C[C@H]1c1cccc(Br)c1 |r|
Show InChI InChI=1S/C9H10BrN/c10-7-3-1-2-6(4-7)8-5-9(8)11/h1-4,8-9H,5,11H2/t8-,9+/m0/s1
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8.90E+3n/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))
BDBM50346594
PNG
(CHEMBL1795976)
Show SMILES N[C@@H]1C[C@H]1c1ccccc1Br |r|
Show InChI InChI=1S/C9H10BrN/c10-8-4-2-1-3-6(8)7-5-9(7)11/h1-4,7,9H,5,11H2/t7-,9+/m0/s1
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1.17E+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))
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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2.10E+4n/an/an/an/an/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Inhibition of human LSD1


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



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))
BDBM50236898
PNG
((1S,2R)-(+)-2-phenylcyclopropylamine | CHEMBL25799...)
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+/m1/s1
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2.66E+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))
BDBM50236898
PNG
((1S,2R)-(+)-2-phenylcyclopropylamine | CHEMBL25799...)
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+/m1/s1
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2.81E+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))
BDBM50346587
PNG
(CHEMBL1795972)
Show SMILES COc1ccc(cc1)[C@@H]1C[C@H]1N |r|
Show InChI InChI=1S/C10H13NO/c1-12-8-4-2-7(3-5-8)9-6-10(9)11/h2-5,9-10H,6,11H2,1H3/t9-,10+/m0/s1
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4.18E+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))
BDBM50346588
PNG
(CHEMBL1795973)
Show SMILES N[C@@H]1C[C@H]1c1ccc(F)cc1 |r|
Show InChI InChI=1S/C9H10FN/c10-7-3-1-6(2-4-7)8-5-9(8)11/h1-4,8-9H,5,11H2/t8-,9+/m0/s1
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7.96E+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))
BDBM50346593
PNG
(CHEMBL1795984)
Show SMILES N[C@@H]1C[C@H]1c1ccccc1-c1ccccc1 |r|
Show InChI InChI=1S/C15H15N/c16-15-10-14(15)13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9,14-15H,10,16H2/t14-,15+/m0/s1
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>1.00E+5n/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))
BDBM50346592
PNG
(CHEMBL1795983)
Show SMILES N[C@@H]1C[C@H]1c1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C15H15N/c16-15-10-14(15)13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-9,14-15H,10,16H2/t14-,15+/m0/s1
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>1.00E+5n/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))
BDBM50236898
PNG
((1S,2R)-(+)-2-phenylcyclopropylamine | CHEMBL25799...)
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+/m1/s1
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1.68E+5n/an/an/an/an/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Inhibition of human truncated LSD1 lacking N-terminal 184 amino acids


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))
BDBM50236898
PNG
((1S,2R)-(+)-2-phenylcyclopropylamine | CHEMBL25799...)
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+/m1/s1
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1.68E+5n/an/an/an/an/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Inhibition of human truncated LSD1 lacking N-terminal 184 amino acids


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
* indicates data uncertainty>20%