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Compile Data Set for Download or QSAR

Found 537 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))
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))
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))
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...


Citation and Details
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


Citation and Details
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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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
(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))
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))
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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


Citation and Details
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...


Citation and Details
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...


Citation and Details
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


Citation and Details
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...


Citation and Details
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 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...


Citation and Details
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 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...


Citation and Details
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))
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))
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))
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))
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))
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))
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


Citation and Details
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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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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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


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


(Homo sapiens (Human))
BDBM50023747
PNG
(CHEMBL3330341)
Show SMILES Cl.N[C@]1(C[C@@H]1c1ccccc1)c1ccccc1
Show InChI InChI=1/C15H15N.ClH/c16-15(13-9-5-2-6-10-13)11-14(15)12-7-3-1-4-8-12;/h1-10,14H,11,16H2;1H/t14-,15-;/s2
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n/an/a 131n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


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


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


(Homo sapiens (Human))
BDBM153436
PNG
(US8993808, 34)
Show SMILES C(N[C@H]1CC1c1ccccc1)c1cnc2ccccc2c1
Show InChI InChI=1/C19H18N2/c1-2-6-15(7-3-1)17-11-19(17)21-13-14-10-16-8-4-5-9-18(16)20-12-14/h1-10,12,17,19,21H,11,13H2/t17?,19-/s2
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n/an/a 140n/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))
BDBM153467
PNG
(US8993808, 65)
Show SMILES COc1cc(CN[C@H]2CC2c2ccccc2)cc(Cl)c1OC
Show InChI InChI=1/C18H20ClNO2/c1-21-17-9-12(8-15(19)18(17)22-2)11-20-16-10-14(16)13-6-4-3-5-7-13/h3-9,14,16,20H,10-11H2,1-2H3/t14?,16-/s2
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n/an/a 147n/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))
BDBM50067543
PNG
(CHEMBL3402046)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1/C103H180N36O28/c1-52(2)47-72(93(159)124-56(6)100(166)167)134-90(156)69(35-37-75(108)144)130-85(151)63(28-14-18-40-105)128-88(154)67(32-22-44-118-102(112)113)132-95(161)74-34-24-46-139(74)99(165)55(5)123-84(150)62(27-13-17-39-104)125-78(147)50-120-77(146)49-121-96(162)79(57(7)141)136-94(160)73(51-140)135-89(155)64(29-15-19-41-106)129-87(153)66(31-21-43-117-101(110)111)127-83(149)54(4)122-97(163)80(58(8)142)137-92(158)70(36-38-76(109)145)131-86(152)65(30-16-20-42-116-71-48-61(71)60-25-11-10-12-26-60)133-98(164)81(59(9)143)138-91(157)68(126-82(148)53(3)107)33-23-45-119-103(114)115/h10-12,25-26,52-59,61-74,79-81,116,140-143H,13-24,27-51,104-107H2,1-9H3,(H2,108,144)(H2,109,145)(H,120,146)(H,121,162)(H,122,163)(H,123,150)(H,124,159)(H,125,147)(H,126,148)(H,127,149)(H,128,154)(H,129,153)(H,130,151)(H,131,152)(H,132,161)(H,133,164)(H,134,156)(H,135,155)(H,136,160)(H,137,158)(H,138,157)(H,166,167)(H4,110,111,117)(H4,112,113,118)(H4,114,115,119)/t53-,54+,55+,56+,57+,58+,59+,61?,62+,63+,64+,65+,66+,67+,68+,69+,70+,71?,72+,73+,74+,79+,80+,81+/s2
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n/an/a 148n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


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


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


(Homo sapiens (Human))
BDBM50346864
PNG
(CHEMBL1797641 | CHEMBL3104337 | US8765820, 8)
Show SMILES NC1CC1c1ccc(NC(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/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)
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n/an/a 150n/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...


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


(Homo sapiens (Human))
BDBM50067549
PNG
(CHEMBL3402052)
Show SMILES C[C@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1/C83H144N30O23/c1-42(86)66(121)103-54(26-17-35-96-82(90)91)72(127)112-65(47(6)117)78(133)107-52(24-12-15-33-94-57-38-49(57)48-20-8-7-9-21-48)69(124)106-55(29-30-60(87)118)73(128)111-64(46(5)116)77(132)100-43(2)67(122)104-53(25-16-34-95-81(88)89)70(125)105-51(23-11-14-32-85)71(126)109-58(41-114)74(129)110-63(45(4)115)76(131)99-39-61(119)98-40-62(120)102-50(22-10-13-31-84)68(123)101-44(3)79(134)113-37-19-28-59(113)75(130)108-56(80(135)136)27-18-36-97-83(92)93/h7-9,20-21,42-47,49-59,63-65,94,114-117H,10-19,22-41,84-86H2,1-6H3,(H2,87,118)(H,98,119)(H,99,131)(H,100,132)(H,101,123)(H,102,120)(H,103,121)(H,104,122)(H,105,125)(H,106,124)(H,107,133)(H,108,130)(H,109,126)(H,110,129)(H,111,128)(H,112,127)(H,135,136)(H4,88,89,95)(H4,90,91,96)(H4,92,93,97)/t42-,43+,44+,45+,46+,47+,49?,50+,51+,52+,53+,54+,55+,56+,57?,58+,59+,63+,64+,65+/s2
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n/an/a 158n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


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


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


(Homo sapiens (Human))
BDBM153441
PNG
(US8993808, 39)
Show SMILES N#Cc1cccc(CN[C@H]2CC2c2ccccc2)c1
Show InChI InChI=1/C17H16N2/c18-11-13-5-4-6-14(9-13)12-19-17-10-16(17)15-7-2-1-3-8-15/h1-9,16-17,19H,10,12H2/t16?,17-/s2
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n/an/a 160n/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))
BDBM153443
PNG
(US8993808, 41)
Show SMILES Nc1ncccc1CN[C@H]1CC1c1ccccc1
Show InChI InChI=1/C15H17N3/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,(H2,16,17)/t13?,14-/s2
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n/an/a 160n/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))
BDBM50023731
PNG
(CHEMBL3330331)
Show SMILES Cl.N[C@]1(C[C@H]1c1ccccc1)c1ccccc1
Show InChI InChI=1/C15H15N.ClH/c16-15(13-9-5-2-6-10-13)11-14(15)12-7-3-1-4-8-12;/h1-10,14H,11,16H2;1H/t14-,15+;/s2
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n/an/a 161n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


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


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


(Homo sapiens (Human))
BDBM153437
PNG
(US8993808, 35)
Show SMILES COc1ccc(CN[C@H]2CC2c2ccccc2)cn1
Show InChI InChI=1/C16H18N2O/c1-19-16-8-7-12(11-18-16)10-17-15-9-14(15)13-5-3-2-4-6-13/h2-8,11,14-15,17H,9-10H2,1H3/t14?,15-/s2
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n/an/a 180n/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))
BDBM153469
PNG
(US8993808, 71)
Show SMILES C(N[C@H]1CC1c1ccccc1)c1ccc2[nH]ccc2c1
Show InChI InChI=1/C18H18N2/c1-2-4-14(5-3-1)16-11-18(16)20-12-13-6-7-17-15(10-13)8-9-19-17/h1-10,16,18-20H,11-12H2/t16?,18-/s2
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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)

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


(Homo sapiens (Human))
BDBM153440
PNG
(US8993808, 38)
Show SMILES C(N[C@H]1CC1c1ccccc1)C1C=Nc2ccccc12
Show InChI InChI=1/C18H18N2/c1-2-6-13(7-3-1)16-10-18(16)20-12-14-11-19-17-9-5-4-8-15(14)17/h1-9,11,14,16,18,20H,10,12H2/t14?,16?,18-/s2
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n/an/a 190n/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))
BDBM50445343
PNG
(CHEMBL3104348)
Show SMILES Oc1ccccc1\C=N\NC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C14H11BrN2O2/c15-12-7-5-10(6-8-12)14(19)17-16-9-11-3-1-2-4-13(11)18/h1-9,18H,(H,17,19)/b16-9+
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n/an/a 196n/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


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


(Homo sapiens (Human))
BDBM50445343
PNG
(CHEMBL3104348)
Show SMILES Oc1ccccc1\C=N\NC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C14H11BrN2O2/c15-12-7-5-10(6-8-12)14(19)17-16-9-11-3-1-2-4-13(11)18/h1-9,18H,(H,17,19)/b16-9+
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n/an/a 196n/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))
BDBM50023741
PNG
(CHEMBL3330334)
Show SMILES Cl.N[C@]1(CCc2ccccc2)C[C@H]1c1ccccc1
Show InChI InChI=1/C17H19N.ClH/c18-17(12-11-14-7-3-1-4-8-14)13-16(17)15-9-5-2-6-10-15;/h1-10,16H,11-13,18H2;1H/t16-,17+;/s2
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n/an/a 202n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


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


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


(Homo sapiens (Human))
BDBM153430
PNG
(US8993808, 25)
Show SMILES Brc1cccc(CN[C@H]2CC2c2ccccc2)n1
Show InChI InChI=1/C15H15BrN2/c16-15-8-4-7-12(18-15)10-17-14-9-13(14)11-5-2-1-3-6-11/h1-8,13-14,17H,9-10H2/t13?,14-/s2
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n/an/a 210n/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))
BDBM153466
PNG
(US8993808, 64)
Show SMILES COc1cc(F)c(CN[C@H]2CC2c2ccccc2)cc1OC
Show InChI InChI=1/C18H20FNO2/c1-21-17-8-13(15(19)10-18(17)22-2)11-20-16-9-14(16)12-6-4-3-5-7-12/h3-8,10,14,16,20H,9,11H2,1-2H3/t14?,16-/s2
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n/an/a 210n/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))
BDBM153473
PNG
(US8993808, 75)
Show SMILES COc1ccc(cc1OC)C(C)N[C@H]1CC1c1ccccc1
Show InChI InChI=1/C19H23NO2/c1-13(15-9-10-18(21-2)19(11-15)22-3)20-17-12-16(17)14-7-5-4-6-8-14/h4-11,13,16-17,20H,12H2,1-3H3/t13?,16?,17-/s2
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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)

More data for this
Ligand-Target Pair
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