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Compile Data Set for Download or QSAR

Found 1797 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific histone demethylase 1A'   
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))
BDBM153474
PNG
(US8993808, 76)
Show SMILES CC(N[C@H]1CC1c1ccccc1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C19H21NO2/c1-13(15-7-8-18-19(11-15)22-10-9-21-18)20-17-12-16(17)14-5-3-2-4-6-14/h2-8,11,13,16-17,20H,9-10,12H2,1H3/t13?,16?,17-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
The compounds of the invention can be tested for their ability to inhibit LSD1. The ability of the compounds of the invention to inhibit LSD1 can be ...


US Patent US8993808 (2015)


BindingDB Entry DOI: 10.7270/Q29P30CC
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50158870
PNG
(CHEMBL3787230)
Show SMILES C(N[C@@H]1C[C@H]1c1ccccc1)C1CCNCC1
Show InChI InChI=1S/C15H22N2/c1-2-4-13(5-3-1)14-10-15(14)17-11-12-6-8-16-9-7-12/h1-5,12,14-17H,6-11H2/t14-,15+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged KDM1A (172 to 833 residues) expressed in Escherichia coli C43(DE3) pLysS cells using biotin-H3K4me as subs...


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50158871
PNG
(CHEMBL3786192)
Show SMILES C(N[C@@H]1C[C@H]1c1ccccc1)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H28N2/c1-3-7-19(8-4-1)17-24-13-11-18(12-14-24)16-23-22-15-21(22)20-9-5-2-6-10-20/h1-10,18,21-23H,11-17H2/t21-,22+/m0/s1
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n/an/a 6n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged KDM1A (172 to 833 residues) expressed in Escherichia coli C43(DE3) pLysS cells using biotin-H3K4me as subs...


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50158872
PNG
(CHEMBL3785523)
Show SMILES CN1CCC(CN[C@@H]2C[C@H]2c2ccccc2)CC1
Show InChI InChI=1S/C16H24N2/c1-18-9-7-13(8-10-18)12-17-16-11-15(16)14-5-3-2-4-6-14/h2-6,13,15-17H,7-12H2,1H3/t15-,16+/m0/s1
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n/an/a 6n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged KDM1A (172 to 833 residues) expressed in Escherichia coli C43(DE3) pLysS cells using biotin-H3K4me as subs...


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50158880
PNG
(CHEMBL3785783)
Show SMILES Cc1ccc(cc1)-c1cnc(NC[C@H]2CCNC2)nc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H23N5/c1-16-2-6-19(7-3-16)21-15-27-23(26-14-18-10-11-25-13-18)28-22(21)20-8-4-17(12-24)5-9-20/h2-9,15,18,25H,10-11,13-14H2,1H3,(H,26,27,28)/t18-/m0/s1
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n/an/a<10n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of full length human KDM1A expressed in Escherichia coli using biotin-H3K4me1 as substrate incubated for 1 hr by TR-FRET assay


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50158880
PNG
(CHEMBL3785783)
Show SMILES Cc1ccc(cc1)-c1cnc(NC[C@H]2CCNC2)nc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H23N5/c1-16-2-6-19(7-3-16)21-15-27-23(26-14-18-10-11-25-13-18)28-22(21)20-8-4-17(12-24)5-9-20/h2-9,15,18,25H,10-11,13-14H2,1H3,(H,26,27,28)/t18-/m0/s1
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n/an/a<10n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM1A in human THP1 cells assessed as inhibition of CD11b expressing cells incubated for 4 days by DAPI staining based flow cytometry


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM151611
PNG
(SP-2509 | US8987335, 12 | US9555024, 12)
Show SMILES C\C(=N/NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O
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)/b21-13+
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n/an/a 11n/an/an/an/an/an/a



China Pharmaceutical University



Assay Description
The LSD1 screening biochemical assay was performed by Shanghai ChemPartner Co. Ltd and the detailed protocol was shown as followed. The AlphaLISA ass...


Bioorg Chem 72: 182-189 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.006
BindingDB Entry DOI: 10.7270/Q2PC3179
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM254598
PNG
(US9469597, 57 | US9670136, 57 N1-((trans)-2-(4-((2...)
Show SMILES NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(OCc2ccccc2F)cc1
Show InChI InChI=1S/C22H27FN2O/c23-21-4-2-1-3-16(21)14-26-19-11-5-15(6-12-19)20-13-22(20)25-18-9-7-17(24)8-10-18/h1-6,11-12,17-18,20,22,25H,7-10,13-14,24H2/t17?,18?,20-,22+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



ORYZON GENOMICS S.A.

US Patent


Assay Description
Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of at least eight 3-fold serial dilutions ...


US Patent US9670136 (2017)


BindingDB Entry DOI: 10.7270/Q2PN93SB
More data for this
Ligand-Target Pair
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
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 Utah

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin) using dimethyl K4 peptide as substrate assessed as resorufin level by spectrophotometric analysis


J Med Chem 56: 9496-508 (2014)


Article DOI: 10.1021/jm400870h
BindingDB Entry DOI: 10.7270/Q2Z60QJ7
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM151617
PNG
(US8987335, 18)
Show SMILES CN(C)S(=O)(=O)c1cccc(c1)C(=O)N\N=C(/C)c1cc(Cl)ccc1O
Show InChI InChI=1S/C17H18ClN3O4S/c1-11(15-10-13(18)7-8-16(15)22)19-20-17(23)12-5-4-6-14(9-12)26(24,25)21(2)3/h4-10,22H,1-3H3,(H,20,23)/b19-11+
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n/an/a 13n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the LSD1 Inhibitor Screening Assay Kit (Cayman Chemical Company, Ann Arbor, Mich.; Cayman Chem...


US Patent US9555024 (2017)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM151611
PNG
(SP-2509 | US8987335, 12 | US9555024, 12)
Show SMILES C\C(=N/NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O
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)/b21-13+
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n/an/a 13n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the LSD1 Inhibitor Screening Assay Kit (Cayman Chemical Company, Ann Arbor, Mich.; Cayman Chem...


US Patent US8987335 (2015)


BindingDB Entry DOI: 10.7270/Q2GQ6WGH
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM151608
PNG
(US8987335, 9 | US9555024, 9)
Show SMILES Oc1ccccc1C(=O)NNC(=O)c1cc(ccc1F)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C18H18FN3O6S/c19-15-6-5-12(29(26,27)22-7-9-28-10-8-22)11-14(15)18(25)21-20-17(24)13-3-1-2-4-16(13)23/h1-6,11,23H,7-10H2,(H,20,24)(H,21,25)
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n/an/a 13n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the LSD1 Inhibitor Screening Assay Kit (Cayman Chemical Company, Ann Arbor, Mich.; Cayman Chem...


US Patent US9555024 (2017)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM151611
PNG
(SP-2509 | US8987335, 12 | US9555024, 12)
Show SMILES C\C(=N/NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O
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)/b21-13+
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n/an/a 13n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the LSD1 Inhibitor Screening Assay Kit (Cayman Chemical Company, Ann Arbor, Mich.; Cayman Chem...


US Patent US9555024 (2017)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50078895
PNG
(CHEMBL3416426)
Show SMILES N[C@H]1C[C@@H]1c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C16H16N2O.ClH/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);1H/t14-,15+;/m1./s1
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n/an/a 13n/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 methylated H3K4peptide as substrate incubated for 15 mins prior to substrate...


Eur J Med Chem 94: 163-74 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.060
BindingDB Entry DOI: 10.7270/Q2JQ12QF
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM151608
PNG
(US8987335, 9 | US9555024, 9)
Show SMILES Oc1ccccc1C(=O)NNC(=O)c1cc(ccc1F)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C18H18FN3O6S/c19-15-6-5-12(29(26,27)22-7-9-28-10-8-22)11-14(15)18(25)21-20-17(24)13-3-1-2-4-16(13)23/h1-6,11,23H,7-10H2,(H,20,24)(H,21,25)
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n/an/a 13n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the LSD1 Inhibitor Screening Assay Kit (Cayman Chemical Company, Ann Arbor, Mich.; Cayman Chem...


US Patent US8987335 (2015)


BindingDB Entry DOI: 10.7270/Q2GQ6WGH
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM151617
PNG
(US8987335, 18)
Show SMILES CN(C)S(=O)(=O)c1cccc(c1)C(=O)N\N=C(/C)c1cc(Cl)ccc1O
Show InChI InChI=1S/C17H18ClN3O4S/c1-11(15-10-13(18)7-8-16(15)22)19-20-17(23)12-5-4-6-14(9-12)26(24,25)21(2)3/h4-10,22H,1-3H3,(H,20,23)/b19-11+
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n/an/a 13n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the LSD1 Inhibitor Screening Assay Kit (Cayman Chemical Company, Ann Arbor, Mich.; Cayman Chem...


US Patent US8987335 (2015)


BindingDB Entry DOI: 10.7270/Q2GQ6WGH
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM153476
PNG
(US8993808, 79)
Show SMILES Cc1noc(CN[C@H]2CC2c2ccccc2)n1
Show InChI InChI=1S/C13H15N3O/c1-9-15-13(17-16-9)8-14-12-7-11(12)10-5-3-2-4-6-10/h2-6,11-12,14H,7-8H2,1H3/t11?,12-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
The compounds of the invention can be tested for their ability to inhibit LSD1. The ability of the compounds of the invention to inhibit LSD1 can be ...


US Patent US8993808 (2015)


BindingDB Entry DOI: 10.7270/Q29P30CC
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445347
PNG
(CHEMBL3104252)
Show SMILES CN(C)S(=O)(=O)c1cccc(c1)C(=O)NN=C(C)c1cc(Cl)ccc1O
Show InChI InChI=1S/C17H18ClN3O4S/c1-11(15-10-13(18)7-8-16(15)22)19-20-17(23)12-5-4-6-14(9-12)26(24,25)21(2)3/h4-10,22H,1-3H3,(H,20,23)
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n/an/a 14n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin) using dimethyl K4 peptide as substrate assessed as resorufin level by spectrophotometric analysis


J Med Chem 56: 9496-508 (2014)


Article DOI: 10.1021/jm400870h
BindingDB Entry DOI: 10.7270/Q2Z60QJ7
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM254546
PNG
(US9469597, 1 | US9670136, 5 (trans)-N1-((1R,2S)-2-...)
Show SMILES NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1
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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US Patent
n/an/a 15n/an/an/an/an/an/a



ORYZON GENOMICS S.A.

US Patent


Assay Description
Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of at least eight 3-fold serial dilutions ...


US Patent US9670136 (2017)


BindingDB Entry DOI: 10.7270/Q2PN93SB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM182862
PNG
(US9670136, 1 N1-((trans)-2-phenylcyclopropyl)cyclo...)
Show SMILES NC1CCC(CC1)NC1CC1c1ccccc1
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
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n/an/a 17n/an/an/an/an/an/a



ORYZON GENOMICS S.A.

US Patent


Assay Description
Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of at least eight 3-fold serial dilutions ...


US Patent US9670136 (2017)


BindingDB Entry DOI: 10.7270/Q2PN93SB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(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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n/an/a 19n/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 methylated H3K4peptide as substrate incubated for 15 mins prior to substrate...


Eur J Med Chem 94: 163-74 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.060
BindingDB Entry DOI: 10.7270/Q2JQ12QF
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445348
PNG
(CHEMBL3104350)
Show SMILES CC(=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1ccccc1O
Show InChI InChI=1S/C19H21N3O5S/c1-14(17-7-2-3-8-18(17)23)20-21-19(24)15-5-4-6-16(13-15)28(25,26)22-9-11-27-12-10-22/h2-8,13,23H,9-12H2,1H3,(H,21,24)
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n/an/a 19n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin) using dimethyl K4 peptide as substrate assessed as resorufin level by spectrophotometric analysis


J Med Chem 56: 9496-508 (2014)


Article DOI: 10.1021/jm400870h
BindingDB Entry DOI: 10.7270/Q2Z60QJ7
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM183458
PNG
(US9670136, 52 N-(4′-((trans)-2-((4-aminocycl...)
Show SMILES NC1CCC(CC1)NC1C[C@@H]1c1ccc(cc1)-c1cccc(NS(=O)(=O)N2CCNCC2)c1
Show InChI InChI=1S/C25H35N5O2S/c26-21-8-10-22(11-9-21)28-25-17-24(25)19-6-4-18(5-7-19)20-2-1-3-23(16-20)29-33(31,32)30-14-12-27-13-15-30/h1-7,16,21-22,24-25,27-29H,8-15,17,26H2/t21?,22?,24-,25?/m1/s1
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n/an/a 19n/an/an/an/an/an/a



ORYZON GENOMICS S.A.

US Patent


Assay Description
Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of at least eight 3-fold serial dilutions ...


US Patent US9670136 (2017)


BindingDB Entry DOI: 10.7270/Q2PN93SB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445349
PNG
(CHEMBL3104261 | US9676701, 63 Enantiomers of 4R...)
Show SMILES N[C@@H]1C[C@H]1c1ccc(cc1)-c1cccc(O)c1
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+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LSD1 using dimethylated H3K4 peptide as substrate after 1 hr


J Med Chem 56: 9496-508 (2014)


Article DOI: 10.1021/jm400870h
BindingDB Entry DOI: 10.7270/Q2Z60QJ7
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50078896
PNG
(CHEMBL3416427)
Show SMILES N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C16H16N2O.ClH/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);1H/t14-,15+;/m0./s1
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n/an/a 21n/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 methylated H3K4peptide as substrate incubated for 15 mins prior to substrate...


Eur J Med Chem 94: 163-74 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.060
BindingDB Entry DOI: 10.7270/Q2JQ12QF
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM254574
PNG
(US9469597, 33 | US9670136, 33 N1-(2-(naphthalen-2-...)
Show SMILES NC1CCC(CC1)NC1CC1c1ccc2ccccc2c1
Show InChI InChI=1S/C19H24N2/c20-16-7-9-17(10-8-16)21-19-12-18(19)15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11,16-19,21H,7-10,12,20H2
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n/an/a 21n/an/an/an/an/an/a



ORYZON GENOMICS S.A.

US Patent


Assay Description
Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of at least eight 3-fold serial dilutions ...


US Patent US9670136 (2017)


BindingDB Entry DOI: 10.7270/Q2PN93SB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM254584
PNG
(US9469597, 43 | US9670136, 43 N1-((trans)-2-(4-(1H...)
Show SMILES NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1ccn[nH]1
Show InChI InChI=1S/C18H24N4/c19-14-5-7-15(8-6-14)21-18-11-16(18)12-1-3-13(4-2-12)17-9-10-20-22-17/h1-4,9-10,14-16,18,21H,5-8,11,19H2,(H,20,22)/t14?,15?,16-,18+/m1/s1
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n/an/a 22n/an/an/an/an/an/a



ORYZON GENOMICS S.A.

US Patent


Assay Description
Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of at least eight 3-fold serial dilutions ...


US Patent US9670136 (2017)


BindingDB Entry DOI: 10.7270/Q2PN93SB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50078893
PNG
(CHEMBL3416432)
Show SMILES N[C@H]1C[C@H]1c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C16H16N2O.ClH/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);1H/t14-,15-;/m0./s1
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n/an/a 22n/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 methylated H3K4peptide as substrate incubated for 15 mins prior to substrate...


Eur J Med Chem 94: 163-74 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.060
BindingDB Entry DOI: 10.7270/Q2JQ12QF
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445366
PNG
(CHEMBL3104342)
Show SMILES COc1cccc(c1)-c1ccc(cc1)[C@@H]1C[C@H]1NCC(=O)N1CCN(C)CC1
Show InChI InChI=1S/C23H29N3O2/c1-25-10-12-26(13-11-25)23(27)16-24-22-15-21(22)18-8-6-17(7-9-18)19-4-3-5-20(14-19)28-2/h3-9,14,21-22,24H,10-13,15-16H2,1-2H3/t21-,22+/m0/s1
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n/an/a 25n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LSD1 using dimethylated H3K4 peptide as substrate after 1 hr


J Med Chem 56: 9496-508 (2014)


Article DOI: 10.1021/jm400870h
BindingDB Entry DOI: 10.7270/Q2Z60QJ7
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50078894
PNG
(CHEMBL3416431)
Show SMILES N[C@@H]1C[C@@H]1c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C16H16N2O.ClH/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);1H/t14-,15-;/m1./s1
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n/an/a 26n/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 methylated H3K4peptide as substrate incubated for 15 mins prior to substrate...


Eur J Med Chem 94: 163-74 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.060
BindingDB Entry DOI: 10.7270/Q2JQ12QF
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM254583
PNG
(US9469597, 42 | US9670136, 42 N1-((trans)-2-(4-(1H...)
Show SMILES NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc2cn[nH]c2c1
Show InChI InChI=1S/C22H26N4/c23-18-7-9-19(10-8-18)25-22-12-20(22)15-3-1-14(2-4-15)16-5-6-17-13-24-26-21(17)11-16/h1-6,11,13,18-20,22,25H,7-10,12,23H2,(H,24,26)/t18?,19?,20-,22+/m1/s1
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n/an/a 27n/an/an/an/an/an/a



ORYZON GENOMICS S.A.

US Patent


Assay Description
Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of at least eight 3-fold serial dilutions ...


US Patent US9670136 (2017)


BindingDB Entry DOI: 10.7270/Q2PN93SB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM254568
PNG
(US9469597, 27 | US9670136, 27 N1-(2-(o-tolyl)cyclo...)
Show SMILES Cc1ccccc1C1CC1NC1CCC(N)CC1
Show InChI InChI=1S/C16H24N2/c1-11-4-2-3-5-14(11)15-10-16(15)18-13-8-6-12(17)7-9-13/h2-5,12-13,15-16,18H,6-10,17H2,1H3
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n/an/a 27n/an/an/an/an/an/a



ORYZON GENOMICS S.A.

US Patent


Assay Description
Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of at least eight 3-fold serial dilutions ...


US Patent US9670136 (2017)


BindingDB Entry DOI: 10.7270/Q2PN93SB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM254589
PNG
(US9469597, 48 | US9670136, 48 N-(4′-((trans)...)
Show SMILES COc1ccc(NS(C)(=O)=O)cc1-c1ccc(cc1)[C@H]1C[C@@H]1NC1CCC(N)CC1
Show InChI InChI=1S/C23H31N3O3S/c1-29-23-12-11-19(26-30(2,27)28)13-21(23)16-5-3-15(4-6-16)20-14-22(20)25-18-9-7-17(24)8-10-18/h3-6,11-13,17-18,20,22,25-26H,7-10,14,24H2,1-2H3/t17?,18?,20-,22+/m1/s1
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n/an/a 27n/an/an/an/an/an/a



ORYZON GENOMICS S.A.

US Patent


Assay Description
Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of at least eight 3-fold serial dilutions ...


US Patent US9670136 (2017)


BindingDB Entry DOI: 10.7270/Q2PN93SB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM151623
PNG
(US8987335, 24)
Show SMILES C\C(=N/NC(=O)c1cncc(c1)S(C)(=O)=O)c1cc(Cl)ccc1O
Show InChI InChI=1S/C15H14ClN3O4S/c1-9(13-6-11(16)3-4-14(13)20)18-19-15(21)10-5-12(8-17-7-10)24(2,22)23/h3-8,20H,1-2H3,(H,19,21)/b18-9+
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n/an/a 28n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the LSD1 Inhibitor Screening Assay Kit (Cayman Chemical Company, Ann Arbor, Mich.; Cayman Chem...


US Patent US9555024 (2017)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM151623
PNG
(US8987335, 24)
Show SMILES C\C(=N/NC(=O)c1cncc(c1)S(C)(=O)=O)c1cc(Cl)ccc1O
Show InChI InChI=1S/C15H14ClN3O4S/c1-9(13-6-11(16)3-4-14(13)20)18-19-15(21)10-5-12(8-17-7-10)24(2,22)23/h3-8,20H,1-2H3,(H,19,21)/b18-9+
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n/an/a 28n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the LSD1 Inhibitor Screening Assay Kit (Cayman Chemical Company, Ann Arbor, Mich.; Cayman Chem...


US Patent US8987335 (2015)


BindingDB Entry DOI: 10.7270/Q2GQ6WGH
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM183452
PNG
(US9670136, 51 6-amino-N-(4-((trans)-2-((4-aminocyc...)
Show SMILES NC1CCC(CC1)NC1C[C@@H]1c1ccc(cc1)-c1cccc(NS(=O)(=O)c2ccc(N)nc2)c1
Show InChI InChI=1S/C26H31N5O2S/c27-20-8-10-21(11-9-20)30-25-15-24(25)18-6-4-17(5-7-18)19-2-1-3-22(14-19)31-34(32,33)23-12-13-26(28)29-16-23/h1-7,12-14,16,20-21,24-25,30-31H,8-11,15,27H2,(H2,28,29)/t20?,21?,24-,25?/m1/s1
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n/an/a 30n/an/an/an/an/an/a



ORYZON GENOMICS S.A.

US Patent


Assay Description
Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of at least eight 3-fold serial dilutions ...


US Patent US9670136 (2017)


BindingDB Entry DOI: 10.7270/Q2PN93SB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50080870
PNG
(CHEMBL3421673)
Show SMILES N[C@@H]1C[C@H]1c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C26H27N3O3.ClH/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);1H/t22-,23+,24-;/m0./s1
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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))
BDBM254586
PNG
(US9469597, 45 | US9670136, 45 3-(5-((trans)-2-((4-...)
Show SMILES NC1CCC(CC1)N[C@H]1C[C@@H]1c1cnc(s1)-c1cccc(O)c1
Show InChI InChI=1S/C18H23N3OS/c19-12-4-6-13(7-5-12)21-16-9-15(16)17-10-20-18(23-17)11-2-1-3-14(22)8-11/h1-3,8,10,12-13,15-16,21-22H,4-7,9,19H2/t12?,13?,15-,16-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



ORYZON GENOMICS S.A.

US Patent


Assay Description
Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of at least eight 3-fold serial dilutions ...


US Patent US9670136 (2017)


BindingDB Entry DOI: 10.7270/Q2PN93SB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM254546
PNG
(US9469597, 1 | US9670136, 5 (trans)-N1-((1R,2S)-2-...)
Show SMILES NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1
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 33n/an/an/an/an/an/a



ORYZON GENOMICS S.A.

US Patent


Assay Description
Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of at least eight 3-fold serial dilutions ...


US Patent US9670136 (2017)


BindingDB Entry DOI: 10.7270/Q2PN93SB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM254596
PNG
(US9469597, 55 | US9670136, 55 N1-((trans)-2-(4-((3...)
Show SMILES NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(OCc2cccc(c2)N2CCNCC2)cc1
Show InChI InChI=1S/C26H36N4O/c27-21-6-8-22(9-7-21)29-26-17-25(26)20-4-10-24(11-5-20)31-18-19-2-1-3-23(16-19)30-14-12-28-13-15-30/h1-5,10-11,16,21-22,25-26,28-29H,6-9,12-15,17-18,27H2/t21?,22?,25-,26+/m1/s1
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ORYZON GENOMICS S.A.

US Patent


Assay Description
Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of at least eight 3-fold serial dilutions ...


US Patent US9670136 (2017)


BindingDB Entry DOI: 10.7270/Q2PN93SB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM254581
PNG
(US9469597, 40 | US9670136, 40 N1-((trans)-2-(4-cyc...)
Show SMILES NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)C1CC1
Show InChI InChI=1S/C18H26N2/c19-15-7-9-16(10-8-15)20-18-11-17(18)14-5-3-13(4-6-14)12-1-2-12/h3-6,12,15-18,20H,1-2,7-11,19H2/t15?,16?,17-,18+/m1/s1
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ORYZON GENOMICS S.A.

US Patent


Assay Description
Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of at least eight 3-fold serial dilutions ...


US Patent US9670136 (2017)


BindingDB Entry DOI: 10.7270/Q2PN93SB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM254561
PNG
(US9469597, 20 | US9670136, 20 N1-((trans)-2-phenyl...)
Show SMILES NC1CC(N[C@H]2C[C@@H]2c2ccccc2)c2ccccc12
Show InChI InChI=1S/C18H20N2/c19-16-11-18(14-9-5-4-8-13(14)16)20-17-10-15(17)12-6-2-1-3-7-12/h1-9,15-18,20H,10-11,19H2/t15-,16?,17+,18?/m1/s1
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ORYZON GENOMICS S.A.

US Patent


Assay Description
Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of at least eight 3-fold serial dilutions ...


US Patent US9670136 (2017)


BindingDB Entry DOI: 10.7270/Q2PN93SB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM254547
PNG
(US9469597, 6 | US9670136, 6 N1-((trans)-2-(thiazol...)
Show SMILES NC1CCC(CC1)N[C@H]1C[C@@H]1c1cncs1
Show InChI InChI=1S/C12H19N3S/c13-8-1-3-9(4-2-8)15-11-5-10(11)12-6-14-7-16-12/h6-11,15H,1-5,13H2/t8?,9?,10-,11-/m0/s1
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ORYZON GENOMICS S.A.

US Patent


Assay Description
Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of at least eight 3-fold serial dilutions ...


US Patent US9670136 (2017)


BindingDB Entry DOI: 10.7270/Q2PN93SB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM254572
PNG
(US9469597, 31 | US9670136, 31 N1-(2-(2-fluoropheny...)
Show SMILES NC1CCC(CC1)NC1CC1c1ccccc1F
Show InChI InChI=1S/C15H21FN2/c16-14-4-2-1-3-12(14)13-9-15(13)18-11-7-5-10(17)6-8-11/h1-4,10-11,13,15,18H,5-9,17H2
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ORYZON GENOMICS S.A.

US Patent


Assay Description
Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of at least eight 3-fold serial dilutions ...


US Patent US9670136 (2017)


BindingDB Entry DOI: 10.7270/Q2PN93SB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM254570
PNG
(US9469597, 29 | US9670136, 29 N1-(2-(4-methoxyphen...)
Show SMILES COc1ccc(cc1)C1CC1NC1CCC(N)CC1
Show InChI InChI=1S/C16H24N2O/c1-19-14-8-2-11(3-9-14)15-10-16(15)18-13-6-4-12(17)5-7-13/h2-3,8-9,12-13,15-16,18H,4-7,10,17H2,1H3
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ORYZON GENOMICS S.A.

US Patent


Assay Description
Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of at least eight 3-fold serial dilutions ...


US Patent US9670136 (2017)


BindingDB Entry DOI: 10.7270/Q2PN93SB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM254569
PNG
(US9469597, 28 | US9670136, 28 N1-(2-(4-(trifluorom...)
Show SMILES NC1CCC(CC1)NC1CC1c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H21F3N2/c17-16(18,19)11-3-1-10(2-4-11)14-9-15(14)21-13-7-5-12(20)6-8-13/h1-4,12-15,21H,5-9,20H2
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ORYZON GENOMICS S.A.

US Patent


Assay Description
Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of at least eight 3-fold serial dilutions ...


US Patent US9670136 (2017)


BindingDB Entry DOI: 10.7270/Q2PN93SB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM254573
PNG
(US9469597, 32 | US9670136, 32 N1-(2-(3,4-difluorop...)
Show SMILES NC1CCC(CC1)NC1CC1c1ccc(F)c(F)c1
Show InChI InChI=1S/C15H20F2N2/c16-13-6-1-9(7-14(13)17)12-8-15(12)19-11-4-2-10(18)3-5-11/h1,6-7,10-12,15,19H,2-5,8,18H2
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ORYZON GENOMICS S.A.

US Patent


Assay Description
Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of at least eight 3-fold serial dilutions ...


US Patent US9670136 (2017)


BindingDB Entry DOI: 10.7270/Q2PN93SB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM153463
PNG
(US8993808, 61)
Show SMILES CC1(C)CCc2cc(CN[C@H]3CC3c3ccccc3)ccc2O1
Show InChI InChI=1S/C21H25NO/c1-21(2)11-10-17-12-15(8-9-20(17)23-21)14-22-19-13-18(19)16-6-4-3-5-7-16/h3-9,12,18-19,22H,10-11,13-14H2,1-2H3/t18?,19-/m0/s1
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Oryzon Genomics, S.A.

US Patent


Assay Description
The compounds of the invention can be tested for their ability to inhibit LSD1. The ability of the compounds of the invention to inhibit LSD1 can be ...


US Patent US8993808 (2015)


BindingDB Entry DOI: 10.7270/Q29P30CC
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM254551
PNG
(US9469597, 10 | US9670136, 10 N1-((trans)-2-(4-(be...)
Show SMILES NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C22H28N2O/c23-18-8-10-19(11-9-18)24-22-14-21(22)17-6-12-20(13-7-17)25-15-16-4-2-1-3-5-16/h1-7,12-13,18-19,21-22,24H,8-11,14-15,23H2/t18?,19?,21-,22+/m1/s1
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ORYZON GENOMICS S.A.

US Patent


Assay Description
Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of at least eight 3-fold serial dilutions ...


US Patent US9670136 (2017)


BindingDB Entry DOI: 10.7270/Q2PN93SB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM254585
PNG
(US9469597, 44 | US9670136, 44 3-(5-((trans)-2-((4-...)
Show SMILES NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(s1)-c1cccc(O)c1
Show InChI InChI=1S/C19H24N2OS/c20-13-4-6-14(7-5-13)21-17-11-16(17)19-9-8-18(23-19)12-2-1-3-15(22)10-12/h1-3,8-10,13-14,16-17,21-22H,4-7,11,20H2/t13?,14?,16-,17-/m0/s1
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ORYZON GENOMICS S.A.

US Patent


Assay Description
Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of at least eight 3-fold serial dilutions ...


US Patent US9670136 (2017)


BindingDB Entry DOI: 10.7270/Q2PN93SB
More data for this
Ligand-Target Pair
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