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Compile Data Set for Download or QSAR

Found 80 hits Enz. Inhib. hit(s) with all data for entry = 50002916   
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))
BDBM50445346
PNG
(CHEMBL3104250)
Show SMILES CC(=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O |w:2.2|
Show InChI InChI=1S/C19H20ClN3O5S/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)
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n/an/a 13n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin)


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM254546
PNG
(US10214477, Example 3 | US9469597, 1 | US9670136, ...)
Show SMILES NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:10.12,wD:8.8,(6.06,2.69,;4.73,1.93,;4.73,.38,;3.4,-.38,;2.06,.38,;2.06,1.93,;3.4,2.69,;.73,-.38,;-.6,.38,;-1.37,1.72,;-2.14,.38,;-3.48,-.38,;-4.81,.38,;-6.14,-.38,;-6.14,-1.93,;-4.81,-2.69,;-3.48,-1.93,)|
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+/m1/s1
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n/an/a 18n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin)


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM179446
PNG
(US9676701, 4 4′-((trans)-2-aminocyclopropyl)...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C15H15NO/c16-15-9-14(15)11-6-4-10(5-7-11)12-2-1-3-13(17)8-12/h1-8,14-15,17H,9,16H2/t14-,15+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin)


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464691
PNG
(CHEMBL4285212)
Show SMILES [O-][N+](=O)c1cc(CN[C@H]2C[C@@H]2c2ccccc2)ccc1Cl |r|
Show InChI InChI=1S/C16H15ClN2O2/c17-14-7-6-11(8-16(14)19(20)21)10-18-15-9-13(15)12-4-2-1-3-5-12/h1-8,13,15,18H,9-10H2/t13-,15+/m1/s1
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n/an/a 35n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in baculovirus infected sf9 cells preincubated for 15 mins followed by H...


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464665
PNG
(CHEMBL4292597)
Show SMILES C(N[C@H]1C[C@@H]1c1ccccc1)c1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C22H21N/c1-3-9-18(10-4-1)20-13-7-8-17(14-20)16-23-22-15-21(22)19-11-5-2-6-12-19/h1-14,21-23H,15-16H2/t21-,22+/m1/s1
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University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in baculovirus infected sf9 cells preincubated for 15 mins followed by H...


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464707
PNG
(CHEMBL4277281)
Show SMILES Cc1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1Cl |r|
Show InChI InChI=1S/C17H18ClN/c1-12-7-8-13(9-16(12)18)11-19-17-10-15(17)14-5-3-2-4-6-14/h2-9,15,17,19H,10-11H2,1H3/t15-,17+/m1/s1
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n/an/a 65n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in baculovirus infected sf9 cells preincubated for 15 mins followed by H...


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464703
PNG
(CHEMBL4285166)
Show SMILES COc1ccccc1CN[C@H]1C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C17H19NO/c1-19-17-10-6-5-9-14(17)12-18-16-11-15(16)13-7-3-2-4-8-13/h2-10,15-16,18H,11-12H2,1H3/t15-,16+/m1/s1
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n/an/a 66n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in baculovirus infected sf9 cells preincubated for 15 mins followed by H...


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464702
PNG
(CHEMBL4290752)
Show SMILES COc1ncccc1CN[C@H]1C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C16H18N2O/c1-19-16-13(8-5-9-17-16)11-18-15-10-14(15)12-6-3-2-4-7-12/h2-9,14-15,18H,10-11H2,1H3/t14-,15+/m1/s1
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University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in baculovirus infected sf9 cells preincubated for 15 mins followed by H...


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464709
PNG
(CHEMBL4287709)
Show SMILES C(N[C@H]1C[C@@H]1c1ccccc1)c1cccc(OCc2ccccc2)c1 |r|
Show InChI InChI=1S/C23H23NO/c1-3-8-18(9-4-1)17-25-21-13-7-10-19(14-21)16-24-23-15-22(23)20-11-5-2-6-12-20/h1-14,22-24H,15-17H2/t22-,23+/m1/s1
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University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in baculovirus infected sf9 cells preincubated for 15 mins followed by H...


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464694
PNG
(CHEMBL4292825)
Show SMILES Cn1c(CN[C@H]2C[C@@H]2c2ccccc2)cc2ccccc12 |r|
Show InChI InChI=1S/C19H20N2/c1-21-16(11-15-9-5-6-10-19(15)21)13-20-18-12-17(18)14-7-3-2-4-8-14/h2-11,17-18,20H,12-13H2,1H3/t17-,18+/m1/s1
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n/an/a 69n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in baculovirus infected sf9 cells preincubated for 15 mins followed by H...


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101271
PNG
(US8524717, 26)
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+/m1/s1
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n/an/a 70n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin)


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464698
PNG
(CHEMBL4289408)
Show SMILES Clc1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
Show InChI InChI=1S/C16H16ClN/c17-14-8-6-12(7-9-14)11-18-16-10-15(16)13-4-2-1-3-5-13/h1-9,15-16,18H,10-11H2/t15-,16+/m1/s1
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n/an/a 77.5n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in baculovirus infected sf9 cells preincubated for 15 mins followed by H...


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464698
PNG
(CHEMBL4289408)
Show SMILES Clc1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
Show InChI InChI=1S/C16H16ClN/c17-14-8-6-12(7-9-14)11-18-16-10-15(16)13-4-2-1-3-5-13/h1-9,15-16,18H,10-11H2/t15-,16+/m1/s1
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n/an/a 78n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in baculovirus infected sf9 cells preincubated for 15 mins followed by H...


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464678
PNG
(CHEMBL4278920)
Show SMILES Fc1cc(Br)ccc1CN[C@H]1C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C16H15BrFN/c17-13-7-6-12(15(18)8-13)10-19-16-9-14(16)11-4-2-1-3-5-11/h1-8,14,16,19H,9-10H2/t14-,16+/m1/s1
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n/an/a 80n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in baculovirus infected sf9 cells preincubated for 15 mins followed by H...


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464693
PNG
(CHEMBL4284179)
Show SMILES Brc1ccc(COc2cccc(CN[C@H]3C[C@@H]3c3ccccc3)c2)cc1 |r|
Show InChI InChI=1S/C23H22BrNO/c24-20-11-9-17(10-12-20)16-26-21-8-4-5-18(13-21)15-25-23-14-22(23)19-6-2-1-3-7-19/h1-13,22-23,25H,14-16H2/t22-,23+/m1/s1
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n/an/a 81n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in baculovirus infected sf9 cells preincubated for 15 mins followed by H...


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464710
PNG
(CHEMBL4279808)
Show SMILES Brc1ccc(COc2ccc(CN[C@H]3C[C@@H]3c3ccccc3)cc2)cc1 |r|
Show InChI InChI=1S/C23H22BrNO/c24-20-10-6-18(7-11-20)16-26-21-12-8-17(9-13-21)15-25-23-14-22(23)19-4-2-1-3-5-19/h1-13,22-23,25H,14-16H2/t22-,23+/m1/s1
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University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in baculovirus infected sf9 cells preincubated for 15 mins followed by H...


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464714
PNG
(CHEMBL4291413)
Show SMILES CCC(=C(c1ccc(OCCN(C)C)cc1)c1ccc(cc1)C(=O)N(C)CCN(C)[C@H]1C[C@@H]1c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C40H47N3O2/c1-6-36(30-13-9-7-10-14-30)39(33-21-23-35(24-22-33)45-28-27-41(2)3)32-17-19-34(20-18-32)40(44)43(5)26-25-42(4)38-29-37(38)31-15-11-8-12-16-31/h7-24,37-38H,6,25-29H2,1-5H3/t37-,38+/m1/s1
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n/an/a 90n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin)


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464672
PNG
(CHEMBL4284293)
Show SMILES Cc1ccc(cc1)-c1ncc(OCC2CCNC2)cc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H23N3O/c1-17-2-6-21(7-3-17)24-23(20-8-4-18(13-25)5-9-20)12-22(15-27-24)28-16-19-10-11-26-14-19/h2-9,12,15,19,26H,10-11,14,16H2,1H3
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University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin)


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464667
PNG
(CHEMBL4282845)
Show SMILES Ic1ccccc1CN[C@H]1C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C16H16IN/c17-15-9-5-4-8-13(15)11-18-16-10-14(16)12-6-2-1-3-7-12/h1-9,14,16,18H,10-11H2/t14-,16+/m1/s1
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University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in baculovirus infected sf9 cells preincubated for 15 mins followed by H...


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464695
PNG
(CHEMBL4287563)
Show SMILES NC(=O)c1cccc(CN[C@H]2C[C@@H]2c2ccccc2)c1 |r|
Show InChI InChI=1S/C17H18N2O/c18-17(20)14-8-4-5-12(9-14)11-19-16-10-15(16)13-6-2-1-3-7-13/h1-9,15-16,19H,10-11H2,(H2,18,20)/t15-,16+/m1/s1
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n/an/a 91n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in baculovirus infected sf9 cells preincubated for 15 mins followed by H...


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464685
PNG
(CHEMBL4285989)
Show SMILES Clc1ccc(CN[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
Show InChI InChI=1S/C16H16ClN/c17-14-8-6-12(7-9-14)11-18-16-10-15(16)13-4-2-1-3-5-13/h1-9,15-16,18H,10-11H2/t15-,16+/m0/s1
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University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in baculovirus infected sf9 cells preincubated for 15 mins followed by H...


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464676
PNG
(CHEMBL4294148)
Show SMILES Brc1ccccc1CN[C@H]1C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C16H16BrN/c17-15-9-5-4-8-13(15)11-18-16-10-14(16)12-6-2-1-3-7-12/h1-9,14,16,18H,10-11H2/t14-,16+/m1/s1
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University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in baculovirus infected sf9 cells preincubated for 15 mins followed by H...


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464702
PNG
(CHEMBL4290752)
Show SMILES COc1ncccc1CN[C@H]1C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C16H18N2O/c1-19-16-13(8-5-9-17-16)11-18-15-10-14(15)12-6-3-2-4-7-12/h2-9,14-15,18H,10-11H2,1H3/t14-,15+/m1/s1
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n/an/a 98n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin)


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464690
PNG
(CHEMBL4281778)
Show SMILES [O-][N+](=O)c1cccc(CN[C@H]2C[C@@H]2c2ccccc2)c1 |r|
Show InChI InChI=1S/C16H16N2O2/c19-18(20)14-8-4-5-12(9-14)11-17-16-10-15(16)13-6-2-1-3-7-13/h1-9,15-17H,10-11H2/t15-,16+/m1/s1
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University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in baculovirus infected sf9 cells preincubated for 15 mins followed by H...


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464690
PNG
(CHEMBL4281778)
Show SMILES [O-][N+](=O)c1cccc(CN[C@H]2C[C@@H]2c2ccccc2)c1 |r|
Show InChI InChI=1S/C16H16N2O2/c19-18(20)14-8-4-5-12(9-14)11-17-16-10-15(16)13-6-2-1-3-7-13/h1-9,15-17H,10-11H2/t15-,16+/m1/s1
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University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in baculovirus infected sf9 cells preincubated for 15 mins followed by H...


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464668
PNG
(CHEMBL4285786)
Show SMILES Fc1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1F |r|
Show InChI InChI=1S/C16H15F2N/c17-14-7-6-11(8-15(14)18)10-19-16-9-13(16)12-4-2-1-3-5-12/h1-8,13,16,19H,9-10H2/t13-,16+/m1/s1
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University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in baculovirus infected sf9 cells preincubated for 15 mins followed by H...


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464675
PNG
(CHEMBL4288523)
Show SMILES COc1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
Show InChI InChI=1S/C17H19NO/c1-19-15-9-7-13(8-10-15)12-18-17-11-16(17)14-5-3-2-4-6-14/h2-10,16-18H,11-12H2,1H3/t16-,17+/m1/s1
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University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in baculovirus infected sf9 cells preincubated for 15 mins followed by H...


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464684
PNG
(CHEMBL4278738)
Show SMILES Clc1ccccc1CN[C@H]1C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C16H16ClN/c17-15-9-5-4-8-13(15)11-18-16-10-14(16)12-6-2-1-3-7-12/h1-9,14,16,18H,10-11H2/t14-,16+/m1/s1
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University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in baculovirus infected sf9 cells preincubated for 15 mins followed by H...


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464680
PNG
(CHEMBL4294062)
Show SMILES Fc1cccc(CN[C@H]2C[C@@H]2c2ccccc2)c1 |r|
Show InChI InChI=1S/C16H16FN/c17-14-8-4-5-12(9-14)11-18-16-10-15(16)13-6-2-1-3-7-13/h1-9,15-16,18H,10-11H2/t15-,16+/m1/s1
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University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in baculovirus infected sf9 cells preincubated for 15 mins followed by H...


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464712
PNG
(CHEMBL4285695)
Show SMILES COc1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1OC |r|
Show InChI InChI=1S/C18H21NO2/c1-20-17-9-8-13(10-18(17)21-2)12-19-16-11-15(16)14-6-4-3-5-7-14/h3-10,15-16,19H,11-12H2,1-2H3/t15-,16+/m1/s1
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University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in baculovirus infected sf9 cells preincubated for 15 mins followed by H...


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464708
PNG
(CHEMBL4289655)
Show SMILES [O-][N+](=O)c1cccc(CN[C@@H]2C[C@H]2c2ccccc2)c1 |r|
Show InChI InChI=1S/C16H16N2O2/c19-18(20)14-8-4-5-12(9-14)11-17-16-10-15(16)13-6-2-1-3-7-13/h1-9,15-17H,10-11H2/t15-,16+/m0/s1
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University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in baculovirus infected sf9 cells preincubated for 15 mins followed by H...


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464677
PNG
(CHEMBL4284077)
Show SMILES Brc1cccc(CN[C@H]2C[C@@H]2c2ccccc2)c1 |r|
Show InChI InChI=1S/C16H16BrN/c17-14-8-4-5-12(9-14)11-18-16-10-15(16)13-6-2-1-3-7-13/h1-9,15-16,18H,10-11H2/t15-,16+/m1/s1
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University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in baculovirus infected sf9 cells preincubated for 15 mins followed by H...


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464705
PNG
(CHEMBL4277841)
Show SMILES Fc1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
Show InChI InChI=1S/C16H16FN/c17-14-8-6-12(7-9-14)11-18-16-10-15(16)13-4-2-1-3-5-13/h1-9,15-16,18H,10-11H2/t15-,16+/m1/s1
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University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in baculovirus infected sf9 cells preincubated for 15 mins followed by H...


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464713
PNG
(CHEMBL4282381)
Show SMILES [O-][N+](=O)c1ccc(N[C@H]2C[C@@H]2c2ccccc2)s1 |r|
Show InChI InChI=1S/C13H12N2O2S/c16-15(17)13-7-6-12(18-13)14-11-8-10(11)9-4-2-1-3-5-9/h1-7,10-11,14H,8H2/t10-,11+/m1/s1
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n/an/a 117n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in baculovirus infected sf9 cells preincubated for 15 mins followed by H...


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464679
PNG
(CHEMBL4286163)
Show SMILES Fc1ccccc1CN[C@H]1C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C16H16FN/c17-15-9-5-4-8-13(15)11-18-16-10-14(16)12-6-2-1-3-7-12/h1-9,14,16,18H,10-11H2/t14-,16+/m1/s1
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University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in baculovirus infected sf9 cells preincubated for 15 mins followed by H...


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464682
PNG
(CHEMBL4284708)
Show SMILES C(N[C@H]1C[C@@H]1c1ccccc1)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C22H21N/c1-3-7-18(8-4-1)19-13-11-17(12-14-19)16-23-22-15-21(22)20-9-5-2-6-10-20/h1-14,21-23H,15-16H2/t21-,22+/m1/s1
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University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in baculovirus infected sf9 cells preincubated for 15 mins followed by H...


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464687
PNG
(CHEMBL4282608)
Show SMILES Clc1cc(Cl)cc(CN[C@H]2C[C@@H]2c2ccccc2)c1 |r|
Show InChI InChI=1S/C16H15Cl2N/c17-13-6-11(7-14(18)8-13)10-19-16-9-15(16)12-4-2-1-3-5-12/h1-8,15-16,19H,9-10H2/t15-,16+/m1/s1
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University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in baculovirus infected sf9 cells preincubated for 15 mins followed by H...


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464711
PNG
(CHEMBL4280740)
Show SMILES NS(=O)(=O)c1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
Show InChI InChI=1S/C16H18N2O2S/c17-21(19,20)14-8-6-12(7-9-14)11-18-16-10-15(16)13-4-2-1-3-5-13/h1-9,15-16,18H,10-11H2,(H2,17,19,20)/t15-,16+/m1/s1
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University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in baculovirus infected sf9 cells preincubated for 15 mins followed by H...


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464692
PNG
(CHEMBL4282324)
Show SMILES C(N[C@H]1C[C@@H]1c1ccccc1)c1ccc(OCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C23H23NO/c1-3-7-19(8-4-1)17-25-21-13-11-18(12-14-21)16-24-23-15-22(23)20-9-5-2-6-10-20/h1-14,22-24H,15-17H2/t22-,23+/m1/s1
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University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in baculovirus infected sf9 cells preincubated for 15 mins followed by H...


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464664
PNG
(CHEMBL4277206)
Show SMILES COc1cccc(CN[C@H]2C[C@@H]2c2ccccc2)c1 |r|
Show InChI InChI=1S/C17H19NO/c1-19-15-9-5-6-13(10-15)12-18-17-11-16(17)14-7-3-2-4-8-14/h2-10,16-18H,11-12H2,1H3/t16-,17+/m1/s1
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University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in baculovirus infected sf9 cells preincubated for 15 mins followed by H...


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464681
PNG
(CHEMBL4292976)
Show SMILES [O-][N+](=O)c1ccc(N[C@H]2C[C@@H]2c2ccccc2)o1 |r|
Show InChI InChI=1S/C13H12N2O3/c16-15(17)13-7-6-12(18-13)14-11-8-10(11)9-4-2-1-3-5-9/h1-7,10-11,14H,8H2/t10-,11+/m1/s1
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n/an/a 159n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in baculovirus infected sf9 cells preincubated for 15 mins followed by H...


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50464665
PNG
(CHEMBL4292597)
Show SMILES C(N[C@H]1C[C@@H]1c1ccccc1)c1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C22H21N/c1-3-9-18(10-4-1)20-13-7-8-17(14-20)16-23-22-15-21(22)19-11-5-2-6-12-19/h1-14,21-23H,15-16H2/t21-,22+/m1/s1
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n/an/a 161n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of MAO-A (unknown origin) using beetle luciferin derived luminogenic substrate preincubated for 15 mins followed by substrate addition mea...


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464701
PNG
(CHEMBL4288999)
Show SMILES CNS(=O)(=O)c1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
Show InChI InChI=1S/C17H20N2O2S/c1-18-22(20,21)15-9-7-13(8-10-15)12-19-17-11-16(17)14-5-3-2-4-6-14/h2-10,16-19H,11-12H2,1H3/t16-,17+/m1/s1
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n/an/a 187n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in baculovirus infected sf9 cells preincubated for 15 mins followed by H...


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464699
PNG
(CHEMBL4294740)
Show SMILES NC(=O)c1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
Show InChI InChI=1S/C17H18N2O/c18-17(20)14-8-6-12(7-9-14)11-19-16-10-15(16)13-4-2-1-3-5-13/h1-9,15-16,19H,10-11H2,(H2,18,20)/t15-,16+/m1/s1
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n/an/a 195n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in baculovirus infected sf9 cells preincubated for 15 mins followed by H...


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464674
PNG
(CHEMBL4292356)
Show SMILES C(N[C@H]1C[C@@H]1c1ccccc1)c1cccnc1 |r|
Show InChI InChI=1S/C15H16N2/c1-2-6-13(7-3-1)14-9-15(14)17-11-12-5-4-8-16-10-12/h1-8,10,14-15,17H,9,11H2/t14-,15+/m1/s1
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n/an/a 202n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in baculovirus infected sf9 cells preincubated for 15 mins followed by H...


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464686
PNG
(CHEMBL4290483)
Show SMILES Clc1ccc(CN[C@H]2C[C@@H]2c2ccccc2)c(Cl)c1 |r|
Show InChI InChI=1S/C16H15Cl2N/c17-13-7-6-12(15(18)8-13)10-19-16-9-14(16)11-4-2-1-3-5-11/h1-8,14,16,19H,9-10H2/t14-,16+/m1/s1
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n/an/a 203n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in baculovirus infected sf9 cells preincubated for 15 mins followed by H...


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50464698
PNG
(CHEMBL4289408)
Show SMILES Clc1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
Show InChI InChI=1S/C16H16ClN/c17-14-8-6-12(7-9-14)11-18-16-10-15(16)13-4-2-1-3-5-13/h1-9,15-16,18H,10-11H2/t15-,16+/m1/s1
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n/an/a 206n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of MAO-A (unknown origin) using beetle luciferin derived luminogenic substrate preincubated for 15 mins followed by substrate addition mea...


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50464700
PNG
(CHEMBL4294686)
Show SMILES C[C@@H]1[C@H](NCc2cccc(c2)[N+]([O-])=O)[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C17H18N2O2/c1-12-16(14-7-3-2-4-8-14)17(12)18-11-13-6-5-9-15(10-13)19(20)21/h2-10,12,16-18H,11H2,1H3/t12-,16+,17-/m0/s1
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n/an/a 237n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of MAO-A (unknown origin) using beetle luciferin derived luminogenic substrate preincubated for 15 mins followed by substrate addition mea...


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464688
PNG
(CHEMBL4287919)
Show SMILES CCc1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
Show InChI InChI=1S/C18H21N/c1-2-14-8-10-15(11-9-14)13-19-18-12-17(18)16-6-4-3-5-7-16/h3-11,17-19H,2,12-13H2,1H3/t17-,18+/m1/s1
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n/an/a 277n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in baculovirus infected sf9 cells preincubated for 15 mins followed by H...


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464704
PNG
(CHEMBL4289595)
Show SMILES Brc1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
Show InChI InChI=1S/C16H16BrN/c17-14-8-6-12(7-9-14)11-18-16-10-15(16)13-4-2-1-3-5-13/h1-9,15-16,18H,10-11H2/t15-,16+/m1/s1
PDB
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n/an/a 295n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in baculovirus infected sf9 cells preincubated for 15 mins followed by H...


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
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