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Compile Data Set for Download or QSAR

Found 649 hits Enz. Inhib. hit(s) with Target = 'LSD1/CoREST complex'   
Target
(Institution)
LigandTarget
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
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50158870
PNG
(CHEMBL3787230)
Show SMILES C(N[C@@H]1C[C@H]1c1ccccc1)C1CCNCC1
Show InChI InChI=1/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+/s2
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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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM153474
PNG
(US8993808, 76)
Show SMILES CC(N[C@H]1CC1c1ccccc1)c1ccc2OCCOc2c1
Show InChI InChI=1/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-/s2
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US Patent
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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50158872
PNG
(CHEMBL3785523)
Show SMILES CN1CCC(CN[C@@H]2C[C@H]2c2ccccc2)CC1
Show InChI InChI=1/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+/s2
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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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50158871
PNG
(CHEMBL3786192)
Show SMILES C(N[C@@H]1C[C@H]1c1ccccc1)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1/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+/s2
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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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50158880
PNG
(CHEMBL3785783)
Show SMILES Cc1ccc(cc1)-c1cnc(NC[C@H]2CCNC2)nc1-c1ccc(cc1)C#N
Show InChI InChI=1/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-/s2
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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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50158880
PNG
(CHEMBL3785783)
Show SMILES Cc1ccc(cc1)-c1cnc(NC[C@H]2CCNC2)nc1-c1ccc(cc1)C#N
Show InChI InChI=1/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-/s2
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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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM151611
PNG
(SP-2509 | US8987335, 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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50078895
PNG
(CHEMBL3416426)
Show SMILES Cl.N[C@H]1C[C@@H]1c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1/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)/t14-,15+/s2
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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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(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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US Patent
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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM151611
PNG
(SP-2509 | US8987335, 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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM151608
PNG
(US8987335, 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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM153476
PNG
(US8993808, 79)
Show SMILES Cc1noc(CN[C@H]2CC2c2ccccc2)n1
Show InChI InChI=1/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-/s2
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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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50445349
PNG
(CHEMBL3104261)
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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50078896
PNG
(CHEMBL3416427)
Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1/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)/t14-,15+/s2
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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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50078893
PNG
(CHEMBL3416432)
Show SMILES Cl.N[C@H]1C[C@H]1c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1/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)/t14-,15-/s2
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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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50078894
PNG
(CHEMBL3416431)
Show SMILES Cl.N[C@@H]1C[C@@H]1c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1/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)/t14-,15-/s2
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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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50080870
PNG
(CHEMBL3421673)
Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1
Show InChI InChI=1/C26H27N3O3/c27-23-16-22(23)20-11-13-21(14-12-20)28-25(30)24(15-18-7-3-1-4-8-18)29-26(31)32-17-19-9-5-2-6-10-19/h1-14,22-24H,15-17,27H2,(H,28,30)(H,29,31)/t22-,23+,24-/s2
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n/an/a 30n/an/an/an/an/an/a



Sapienza University of Roma

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM153463
PNG
(US8993808, 61)
Show SMILES CC1(C)CCc2cc(CN[C@H]3CC3c3ccccc3)ccc2O1
Show InChI InChI=1/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-/s2
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n/an/a 40n/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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM151624
PNG
(US8987335, 25)
Show SMILES C\C(=N/NC(=O)c1cccc(c1)S(C)(=O)=O)c1cc(Cl)ccc1O
Show InChI InChI=1S/C16H15ClN2O4S/c1-10(14-9-12(17)6-7-15(14)20)18-19-16(21)11-4-3-5-13(8-11)24(2,22)23/h3-9,20H,1-2H3,(H,19,21)/b18-10+
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n/an/a 49n/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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM153471
PNG
(US8993808, 73)
Show SMILES COc1ccccc1CN[C@H]1CC1c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1/C24H25NO2/c1-26-24-10-6-5-9-20(24)16-25-23-15-22(23)19-11-13-21(14-12-19)27-17-18-7-3-2-4-8-18/h2-14,22-23,25H,15-17H2,1H3/t22?,23-/s2
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n/an/a 50n/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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM153456
PNG
(US8993808, 54)
Show SMILES COc1ccc2c(OC)ccc(CN[C@H]3CC3c3ccccc3)c2c1
Show InChI InChI=1/C22H23NO2/c1-24-17-9-10-18-19(12-17)16(8-11-22(18)25-2)14-23-21-13-20(21)15-6-4-3-5-7-15/h3-12,20-21,23H,13-14H2,1-2H3/t20?,21-/s2
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n/an/a 50n/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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50080872
PNG
(CHEMBL3421675)
Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1
Show InChI InChI=1/C26H27N3O3/c27-23-16-22(23)20-11-13-21(14-12-20)28-25(30)24(15-18-7-3-1-4-8-18)29-26(31)32-17-19-9-5-2-6-10-19/h1-14,22-24H,15-17,27H2,(H,28,30)(H,29,31)/t22-,23+,24+/s2
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n/an/a 50n/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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM153445
PNG
(US8993808, 43)
Show SMILES COc1ccc(CN[C@H]2CC2c2ccccc2)cc1OC
Show InChI InChI=1/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-/s2
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n/an/a 60n/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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM153455
PNG
(US8993808, 53)
Show SMILES COc1ccc2ccccc2c1CN[C@H]1CC1c1ccccc1
Show InChI InChI=1/C21H21NO/c1-23-21-12-11-16-9-5-6-10-17(16)19(21)14-22-20-13-18(20)15-7-3-2-4-8-15/h2-12,18,20,22H,13-14H2,1H3/t18?,20-/s2
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n/an/a 60n/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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM153468
PNG
(US8993808, 66)
Show SMILES COc1ccc(CN[C@H]2CC2c2ccccc2)c(Cl)c1OC
Show InChI InChI=1/C18H20ClNO2/c1-21-16-9-8-13(17(19)18(16)22-2)11-20-15-10-14(15)12-6-4-3-5-7-12/h3-9,14-15,20H,10-11H2,1-2H3/t14?,15-/s2
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n/an/a 60n/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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50142189
PNG
(CHEMBL3759239 | US9487512, 5)
Show SMILES C(N[C@H]1C[C@@H]1c1ccccc1)C1CCNCC1
Show InChI InChI=1/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+/s2
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n/an/a 62n/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM153465
PNG
(US8993808, 63)
Show SMILES COc1cc(C)c(CN[C@H]2CC2c2ccccc2)cc1C
Show InChI InChI=1/C19H23NO/c1-13-10-19(21-3)14(2)9-16(13)12-20-18-11-17(18)15-7-5-4-6-8-15/h4-10,17-18,20H,11-12H2,1-3H3/t17?,18-/s2
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n/an/a 70n/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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50158875
PNG
(CHEMBL3787372)
Show SMILES CC(C)S(=O)(=O)Nc1cccc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1N
Show InChI InChI=1/C18H22N2O2S/c1-12(2)23(21,22)20-16-5-3-4-15(10-16)13-6-8-14(9-7-13)17-11-18(17)19/h3-10,12,17-18,20H,11,19H2,1-2H3/t17-,18+/s2
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n/an/a 70n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged KDM1A expressed in Escherichia coli using H3K4me2 as substrate preincubated for 15 mins followe...


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM153464
PNG
(US8993808, 62)
Show SMILES COc1ccc(CN[C@H]2CC2c2ccccc2)c(C)c1C
Show InChI InChI=1/C19H23NO/c1-13-14(2)19(21-3)10-9-16(13)12-20-18-11-17(18)15-7-5-4-6-8-15/h4-10,17-18,20H,11-12H2,1-3H3/t17?,18-/s2
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n/an/a 70n/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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50142076
PNG
(CHEMBL3758988)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(F)nc1
Show InChI InChI=1/C21H25FN4O/c1-25-8-10-26(11-9-25)21(27)14-23-19-12-18(19)16-4-2-15(3-5-16)17-6-7-20(22)24-13-17/h2-7,13,18-19,23H,8-12,14H2,1H3/t18-,19+/s2
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n/an/a 77n/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Covalent inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubate...


J Med Chem 59: 253-63 (2016)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM153460
PNG
(US8993808, 58)
Show SMILES COc1ccc(CN[C@H]2CC2c2ccccc2)c(C)c1
Show InChI InChI=1/C18H21NO/c1-13-10-16(20-2)9-8-15(13)12-19-18-11-17(18)14-6-4-3-5-7-14/h3-10,17-19H,11-12H2,1-2H3/t17?,18-/s2
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n/an/a 80n/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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM153444
PNG
(US8993808, 42)
Show SMILES Clc1ncccc1CN[C@H]1CC1c1ccccc1
Show InChI InChI=1/C15H15ClN2/c16-15-12(7-4-8-17-15)10-18-14-9-13(14)11-5-2-1-3-6-11/h1-8,13-14,18H,9-10H2/t13?,14-/s2
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n/an/a 90n/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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50153586
PNG
(CHEMBL3775474)
Show SMILES O=C(NC1CCOCC1)c1csc(c1)[C@@H]1C[C@H]1NCC1CC1
Show InChI InChI=1/C17H24N2O2S/c20-17(19-13-3-5-21-6-4-13)12-7-16(22-10-12)14-8-15(14)18-9-11-1-2-11/h7,10-11,13-15,18H,1-6,8-9H2,(H,19,20)/t14-,15-/s2
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n/an/a<100n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LSD1 (172 to 833 residues) expressed in Escherichia coli C43(DE3) pLysS using biotinylated histone H3 mono methylated ...


ACS Med Chem Lett 7: 10-1 (2016)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50158867
PNG
(CHEMBL3787038)
Show SMILES COC1(CN[C@@H]2C[C@H]2c2ccccc2)CCN(CC1)S(=O)(=O)c1ccn(C)n1
Show InChI InChI=1/C20H28N4O3S/c1-23-11-8-19(22-23)28(25,26)24-12-9-20(27-2,10-13-24)15-21-18-14-17(18)16-6-4-3-5-7-16/h3-8,11,17-18,21H,9-10,12-15H2,1-2H3/t17-,18+/s2
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n/an/a<100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A expressed in Escherichia coli using biotin-histone H3 as substrate preincubated for 1 hr followed by substrate ...


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50445345
PNG
(CHEMBL3104340)
Show SMILES CN(C)[C@@H]1CCN(CCN[C@H]2C[C@@H]2c2ccccc2)C1
Show InChI InChI=1S/C17H27N3/c1-19(2)15-8-10-20(13-15)11-9-18-17-12-16(17)14-6-4-3-5-7-14/h3-7,15-18H,8-13H2,1-2H3/t15-,16-,17+/m1/s1
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n/an/a 100n/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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50158874
PNG
(CHEMBL3786578)
Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1ccc(cc1)[C@@H]1C[C@]1(N)CCc1ccccc1
Show InChI InChI=1/C29H34N4O/c1-32-17-19-33(20-18-32)26-13-9-24(10-14-26)28(34)31-25-11-7-23(8-12-25)27-21-29(27,30)16-15-22-5-3-2-4-6-22/h2-14,27H,15-21,30H2,1H3,(H,31,34)/t27-,29+/s2
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n/an/a<100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A expressed in Escherichia coli using H3K4me peptide substrate preincubated for 15 mins followed substrate additi...


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50158865
PNG
(CHEMBL3785801)
Show SMILES OC(=O)CC1(CN(CCC(F)(F)F)C1)N1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1/C22H30F3N3O2/c23-22(24,25)8-11-27-14-21(15-27,13-20(29)30)28-9-6-17(7-10-28)26-19-12-18(19)16-4-2-1-3-5-16/h1-5,17-19,26H,6-15H2,(H,29,30)/t18-,19+/s2
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n/an/a<100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A expressed in Escherichia coli using biotin-histone H3 as substrate preincubated for 1 hr followed by substrate ...


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50158864
PNG
(CHEMBL3785509)
Show SMILES Nc1ccnc(n1)N1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1/C18H23N5/c19-17-6-9-20-18(22-17)23-10-7-14(8-11-23)21-16-12-15(16)13-4-2-1-3-5-13/h1-6,9,14-16,21H,7-8,10-12H2,(H2,19,20,22)/t15-,16+/s2
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n/an/a<100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A expressed in Escherichia coli using biotin-histone H3 as substrate preincubated for 1 hr followed by substrate ...


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50158863
PNG
(CHEMBL3785706)
Show SMILES CN(C)CC(=O)N1CCC(CN[C@@H]2C[C@H]2c2ccccc2)(Cc2cccc(c2)C#N)CC1
Show InChI InChI=1/C27H34N4O/c1-30(2)19-26(32)31-13-11-27(12-14-31,17-21-7-6-8-22(15-21)18-28)20-29-25-16-24(25)23-9-4-3-5-10-23/h3-10,15,24-25,29H,11-14,16-17,19-20H2,1-2H3/t24-,25+/s2
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n/an/a<100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A expressed in Escherichia coli using biotin-histone H3 as substrate preincubated for 1 hr followed by substrate ...


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50153593
PNG
(CHEMBL3775351 | US9487511, 123)
Show SMILES Cc1sc(cc1[C@@H]1C[C@H]1NC1CCC1)C(=O)Nc1cnn(C)c1
Show InChI InChI=1/C17H22N4OS/c1-10-13(14-6-15(14)19-11-4-3-5-11)7-16(23-10)17(22)20-12-8-18-21(2)9-12/h7-9,11,14-15,19H,3-6H2,1-2H3,(H,20,22)/t14-,15+/s2
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n/an/a<100n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LSD1 (172 to 833 residues) expressed in Escherichia coli C43(DE3) pLysS using biotinylated histone H3 mono methylated ...


ACS Med Chem Lett 7: 10-1 (2016)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50153591
PNG
(CHEMBL3775711 | US9487511, 99)
Show SMILES Cc1nnc(NC(=O)c2cc([C@@H]3C[C@H]3NC3CCC3)c(C)s2)s1
Show InChI InChI=1/C16H20N4OS2/c1-8-11(12-6-13(12)17-10-4-3-5-10)7-14(22-8)15(21)18-16-20-19-9(2)23-16/h7,10,12-13,17H,3-6H2,1-2H3,(H,18,20,21)/t12-,13+/s2
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n/an/a<100n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LSD1 (172 to 833 residues) expressed in Escherichia coli C43(DE3) pLysS using biotinylated histone H3 mono methylated ...


ACS Med Chem Lett 7: 10-1 (2016)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50153590
PNG
(CHEMBL3774809 | US9487511, 97)
Show SMILES Cc1nnc(NC(=O)c2cc([C@@H]3C[C@H]3NCC3CCOCC3)c(C)s2)s1
Show InChI InChI=1/C18H24N4O2S2/c1-10-13(14-7-15(14)19-9-12-3-5-24-6-4-12)8-16(25-10)17(23)20-18-22-21-11(2)26-18/h8,12,14-15,19H,3-7,9H2,1-2H3,(H,20,22,23)/t14-,15+/s2
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n/an/a<100n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LSD1 (172 to 833 residues) expressed in Escherichia coli C43(DE3) pLysS using biotinylated histone H3 mono methylated ...


ACS Med Chem Lett 7: 10-1 (2016)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM151610
PNG
(US8987335, 11)
Show SMILES C\C(=N/NC(=O)c1ccccc1)c1cc(Cl)ccc1O
Show InChI InChI=1S/C15H13ClN2O2/c1-10(13-9-12(16)7-8-14(13)19)17-18-15(20)11-5-3-2-4-6-11/h2-9,19H,1H3,(H,18,20)/b17-10+
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US Patent
n/an/a 128n/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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50445344
PNG
(CHEMBL3104249)
Show SMILES CC(=NNC(=O)c1ccccc1)c1cc(Cl)ccc1O
Show InChI InChI=1S/C15H13ClN2O2/c1-10(13-9-12(16)7-8-14(13)19)17-18-15(20)11-5-3-2-4-6-11/h2-9,19H,1H3,(H,18,20)
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Article
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n/an/a 128n/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)

More data for this
Ligand-Target Pair
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