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Compile Data Set for Download or QSAR

Found 2679 hits Enz. Inhib. hit(s) with Target = 'lsd1'   
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
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50155773
PNG
(CHEMBL3781751 | US9469597, 5)
Show SMILES N[C@H]1CC[C@@H](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+/m0/s1
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n/an/a 0.380n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using [Lys(Me1)4]-Histone H3 (1 to 21 residues)-GGK(biotin) as sub...


J Med Chem 60: 1693-1715 (2017)

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


(Homo sapiens (Human))
BDBM254603
PNG
(US9469597, 4 | US9670136, 3 (trans)-N1-((1S,2R)-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+/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...


J Med Chem 60: 1673-1692 (2017)

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


(Homo sapiens (Human))
BDBM270491
PNG
(US10059668, Example 55)
Show SMILES CN(C(=O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1)S(C)(=O)=O
Show InChI InChI=1S/C25H33N3O3S/c1-27(32(2,30)31)25(29)22-10-8-20(9-11-22)18-28-14-12-19(13-15-28)17-26-24-16-23(24)21-6-4-3-5-7-21/h3-11,19,23-24,26H,12-18H2,1-2H3/t23-,24+/m0/s1
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n/an/a 4n/an/an/an/a7.525



Mirati Therapeutics, Inc.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10059668 (2018)

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


(Homo sapiens (Human))
BDBM270481
PNG
(US10059668, Example 44)
Show SMILES CONC(=O)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1S/C23H29N3O2/c1-28-25-23(27)19-9-7-17(8-10-19)16-26-13-11-20(12-14-26)24-22-15-21(22)18-5-3-2-4-6-18/h2-10,20-22,24H,11-16H2,1H3,(H,25,27)/t21-,22+/m0/s1
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n/an/a 5n/an/an/an/a7.525



Mirati Therapeutics, Inc.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10059668 (2018)

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))
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))
BDBM270475
PNG
(US10059668, Example 38)
Show SMILES O=C(Cc1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H33N3O3S/c33-29(31-36(34,35)26-9-5-2-6-10-26)19-22-11-13-23(14-12-22)21-32-17-15-25(16-18-32)30-28-20-27(28)24-7-3-1-4-8-24/h1-14,25,27-28,30H,15-21H2,(H,31,33)/t27-,28+/m0/s1
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n/an/a 6n/an/an/an/a7.525



Mirati Therapeutics, Inc.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10059668 (2018)

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


(Homo sapiens (Human))
BDBM270453
PNG
(US10059668, Example 16)
Show SMILES CN(C(=O)\C=C\c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1)S(C)(=O)=O
Show InChI InChI=1S/C26H33N3O3S/c1-28(33(2,31)32)26(30)13-12-20-8-10-21(11-9-20)19-29-16-14-23(15-17-29)27-25-18-24(25)22-6-4-3-5-7-22/h3-13,23-25,27H,14-19H2,1-2H3/b13-12+/t24-,25+/m0/s1
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Mirati Therapeutics, Inc.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10059668 (2018)

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))
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
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50236447
PNG
(CHEMBL4069817)
Show SMILES CCn1c(cc2sccc12)C(=O)Nc1cccc(COC)c1COc1ccc(OC[C@@H]2CCNC2)cc1
Show InChI InChI=1S/C29H33N3O4S/c1-3-32-26-12-14-37-28(26)15-27(32)29(33)31-25-6-4-5-21(18-34-2)24(25)19-36-23-9-7-22(8-10-23)35-17-20-11-13-30-16-20/h4-10,12,14-15,20,30H,3,11,13,16-19H2,1-2H3,(H,31,33)/t20-/m1/s1
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n/an/a 6.70n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using [Lys(Me1)4]-Histone H3 (1 to 21 residues)-GGK(biotin) as sub...


J Med Chem 60: 1693-1715 (2017)

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


(Homo sapiens (Human))
BDBM270464
PNG
(US10059668, Example 27 | US10059668, Example 37)
Show SMILES O=C(NS(=O)(=O)c1ccccc1)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1S/C28H31N3O3S/c32-28(30-35(33,34)25-9-5-2-6-10-25)23-13-11-21(12-14-23)20-31-17-15-24(16-18-31)29-27-19-26(27)22-7-3-1-4-8-22/h1-14,24,26-27,29H,15-20H2,(H,30,32)/t26-,27+/m0/s1
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n/an/a 7n/an/an/an/a7.525



Mirati Therapeutics, Inc.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10059668 (2018)

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


(Homo sapiens (Human))
BDBM50236444
PNG
(CHEMBL4090812)
Show SMILES CCOCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc1ccc(OC[C@@H]2CCNC2)cc1
Show InChI InChI=1S/C29H33N3O4S/c1-3-34-18-21-5-4-6-25(31-29(33)27-15-28-26(32(27)2)12-14-37-28)24(21)19-36-23-9-7-22(8-10-23)35-17-20-11-13-30-16-20/h4-10,12,14-15,20,30H,3,11,13,16-19H2,1-2H3,(H,31,33)/t20-/m1/s1
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n/an/a 7.80n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using [Lys(Me1)4]-Histone H3 (1 to 21 residues)-GGK(biotin) as sub...


J Med Chem 60: 1693-1715 (2017)

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


(Homo sapiens (Human))
BDBM50236441
PNG
(CHEMBL4072541)
Show SMILES COCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc1ccc(OC[C@@H]2CCNC2)cc1
Show InChI InChI=1S/C28H31N3O4S/c1-31-25-11-13-36-27(25)14-26(31)28(32)30-24-5-3-4-20(17-33-2)23(24)18-35-22-8-6-21(7-9-22)34-16-19-10-12-29-15-19/h3-9,11,13-14,19,29H,10,12,15-18H2,1-2H3,(H,30,32)/t19-/m1/s1
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n/an/a 8.40n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using [Lys(Me1)4]-Histone H3 (1 to 21 residues)-GGK(biotin) as sub...


J Med Chem 60: 1693-1715 (2017)

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


(Homo sapiens (Human))
BDBM270490
PNG
(US10059668, Example 54)
Show SMILES O=C(NS(=O)(=O)C1CC1)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1
Show InChI InChI=1S/C26H33N3O3S/c30-26(28-33(31,32)23-10-11-23)22-8-6-20(7-9-22)18-29-14-12-19(13-15-29)17-27-25-16-24(25)21-4-2-1-3-5-21/h1-9,19,23-25,27H,10-18H2,(H,28,30)/t24-,25+/m0/s1
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n/an/a 9n/an/an/an/a7.525



Mirati Therapeutics, Inc.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10059668 (2018)

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


(Homo sapiens (Human))
BDBM270488
PNG
(US10059668, Example 52)
Show SMILES CN(C(=O)\C=C\c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1)S(C)(=O)=O
Show InChI InChI=1S/C27H35N3O3S/c1-29(34(2,32)33)27(31)13-12-21-8-10-23(11-9-21)20-30-16-14-22(15-17-30)19-28-26-18-25(26)24-6-4-3-5-7-24/h3-13,22,25-26,28H,14-20H2,1-2H3/b13-12+/t25-,26+/m0/s1
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n/an/a 9n/an/an/an/a7.525



Mirati Therapeutics, Inc.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10059668 (2018)

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


(Homo sapiens (Human))
BDBM301113
PNG
(4-[2-(4-aminopiperidin-1-yl)-5-[2-(2- methylpyrazo...)
Show SMILES Cn1nccc1C#Cc1cnc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
Show InChI InChI=1S/C22H20FN7/c1-29-19(6-9-27-29)5-4-17-14-26-22(30-10-7-18(25)8-11-30)28-21(17)15-2-3-16(13-24)20(23)12-15/h2-3,6,9,12,14,18H,7-8,10-11,25H2,1H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US10131664 (2018)

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


(Homo sapiens (Human))
BDBM301114
PNG
(4-[2-(4-amino-3-hydroxypiperidin-1- yl)-5-(2-methy...)
Show SMILES Cn1cc2cc(ccc2n1)-c1cnc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)C(O)C1
Show InChI InChI=1S/C24H22FN7O/c1-31-12-17-8-14(4-5-21(17)30-31)18-11-28-24(32-7-6-20(27)22(33)13-32)29-23(18)15-2-3-16(10-26)19(25)9-15/h2-5,8-9,11-12,20,22,33H,6-7,13,27H2,1H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US10131664 (2018)

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


(Homo sapiens (Human))
BDBM301115
PNG
(4-[2-(3-aminopiperidin-1-yl)-5-(2- methylindazol-5...)
Show SMILES Cn1cc2cc(ccc2n1)-c1cnc(nc1-c1ccc(C#N)c(F)c1)N1CCCC(N)C1
Show InChI InChI=1S/C24H22FN7/c1-31-13-18-9-15(6-7-22(18)30-31)20-12-28-24(32-8-2-3-19(27)14-32)29-23(20)16-4-5-17(11-26)21(25)10-16/h4-7,9-10,12-13,19H,2-3,8,14,27H2,1H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US10131664 (2018)

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


(Homo sapiens (Human))
BDBM301116
PNG
(2-fluoro-4-[5-(2-methylindazol-5-yl)- 2-piperazin-...)
Show SMILES Cn1cc2cc(ccc2n1)-c1cnc(nc1-c1ccc(C#N)c(F)c1)N1CCNCC1
Show InChI InChI=1S/C23H20FN7/c1-30-14-18-10-15(4-5-21(18)29-30)19-13-27-23(31-8-6-26-7-9-31)28-22(19)16-2-3-17(12-25)20(24)11-16/h2-5,10-11,13-14,26H,6-9H2,1H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US10131664 (2018)

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


(Homo sapiens (Human))
BDBM301008
PNG
(4-[5-(4-methylphenyl)-1-[[(3R)- pyrrolidin-3-yl]me...)
Show SMILES Cc1ccc(cc1)-c1nc2ccn(C[C@@H]3CCNC3)c2cc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C26H24N4/c1-18-2-6-22(7-3-18)26-23(21-8-4-19(15-27)5-9-21)14-25-24(29-26)11-13-30(25)17-20-10-12-28-16-20/h2-9,11,13-14,20,28H,10,12,16-17H2,1H3/t20-/m1/s1
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US10131664 (2018)

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


(Homo sapiens (Human))
BDBM301010
PNG
(4-[5-(4-methylphenyl)-1-[[(3S)- pyrrolidin-3-yl]me...)
Show SMILES Cc1ccc(cc1)-c1nc2ccn(C[C@H]3CCNC3)c2cc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C26H24N4/c1-18-2-6-22(7-3-18)26-23(21-8-4-19(15-27)5-9-21)14-25-24(29-26)11-13-30(25)17-20-10-12-28-16-20/h2-9,11,13-14,20,28H,10,12,16-17H2,1H3/t20-/m0/s1
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US10131664 (2018)

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


(Homo sapiens (Human))
BDBM301012
PNG
(4-[5-(4-fluorophenyl)-1-[[(3S)- pyrrolidin-3-yl]me...)
Show SMILES Fc1ccc(cc1)-c1nc2ccn(C[C@H]3CCNC3)c2cc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H21FN4/c26-21-7-5-20(6-8-21)25-22(19-3-1-17(14-27)2-4-19)13-24-23(29-25)10-12-30(24)16-18-9-11-28-15-18/h1-8,10,12-13,18,28H,9,11,15-16H2/t18-/m0/s1
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US10131664 (2018)

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


(Homo sapiens (Human))
BDBM301014
PNG
(4-[5-morpholin-4-yl-1-[[(3S)- pyrrolidin-3-yl]meth...)
Show SMILES N#Cc1ccc(cc1)-c1cc2n(C[C@H]3CCNC3)ccc2nc1N1CCOCC1
Show InChI InChI=1S/C23H25N5O/c24-14-17-1-3-19(4-2-17)20-13-22-21(26-23(20)27-9-11-29-12-10-27)6-8-28(22)16-18-5-7-25-15-18/h1-4,6,8,13,18,25H,5,7,9-12,15-16H2/t18-/m0/s1
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US10131664 (2018)

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


(Homo sapiens (Human))
BDBM301016
PNG
(4-[1-[(3-fluoropyrrolidin-3-yl)methyl]- 5-(4-methy...)
Show SMILES Cc1ccc(cc1)-c1nc2ccn(CC3(F)CCNC3)c2cc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C26H23FN4/c1-18-2-6-21(7-3-18)25-22(20-8-4-19(15-28)5-9-20)14-24-23(30-25)10-13-31(24)17-26(27)11-12-29-16-26/h2-10,13-14,29H,11-12,16-17H2,1H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US10131664 (2018)

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


(Homo sapiens (Human))
BDBM301017
PNG
(4-[5-(4-methylphenyl)-1-[[(2R)- morpholin-2-yl]met...)
Show SMILES Cc1ccc(cc1)-c1nc2ccn(C[C@H]3CNCCO3)c2cc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C26H24N4O/c1-18-2-6-21(7-3-18)26-23(20-8-4-19(15-27)5-9-20)14-25-24(29-26)10-12-30(25)17-22-16-28-11-13-31-22/h2-10,12,14,22,28H,11,13,16-17H2,1H3/t22-/m1/s1
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US10131664 (2018)

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


(Homo sapiens (Human))
BDBM301018
PNG
(4-[5-(4-fluorophenyl)-1-[[(2R)- morpholin-2-yl]met...)
Show SMILES Fc1ccc(cc1)-c1nc2ccn(C[C@H]3CNCCO3)c2cc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H21FN4O/c26-20-7-5-19(6-8-20)25-22(18-3-1-17(14-27)2-4-18)13-24-23(29-25)9-11-30(24)16-21-15-28-10-12-31-21/h1-9,11,13,21,28H,10,12,15-16H2/t21-/m1/s1
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US10131664 (2018)

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


(Homo sapiens (Human))
BDBM301019
PNG
(4-[1-(3-aminopropyl)-5-(4- methylphenyl)pyrrolo[3,...)
Show SMILES Cc1ccc(cc1)-c1nc2ccn(CCCN)c2cc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H22N4/c1-17-3-7-20(8-4-17)24-21(19-9-5-18(16-26)6-10-19)15-23-22(27-24)11-14-28(23)13-2-12-25/h3-11,14-15H,2,12-13,25H2,1H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US10131664 (2018)

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


(Homo sapiens (Human))
BDBM301020
PNG
(4-[5-(4-methylphenyl)-1-(pyrrolidin-3- ylmethyl)py...)
Show SMILES Cc1ccc(cc1)-c1nc2cnn(CC3CCNC3)c2cc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H23N5/c1-17-2-6-21(7-3-17)25-22(20-8-4-18(13-26)5-9-20)12-24-23(29-25)15-28-30(24)16-19-10-11-27-14-19/h2-9,12,15,19,27H,10-11,14,16H2,1H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US10131664 (2018)

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


(Homo sapiens (Human))
BDBM301021
PNG
(4-[5-(4-methylphenyl)-1-(piperidin-4- ylmethyl)pyr...)
Show SMILES Cc1ccc(cc1)-c1nc2cnn(CC3CCNCC3)c2cc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C26H25N5/c1-18-2-6-22(7-3-18)26-23(21-8-4-19(15-27)5-9-21)14-25-24(30-26)16-29-31(25)17-20-10-12-28-13-11-20/h2-9,14,16,20,28H,10-13,17H2,1H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US10131664 (2018)

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


(Homo sapiens (Human))
BDBM301022
PNG
(4-[1-[[(1S,5R)-3- azabicyclo[3.1.0]hexan-6-yl]meth...)
Show SMILES Cc1ccc(cc1)-c1nc2cnn(C[C@H]3[C@@H]4CNC[C@H]34)c2cc1-c1ccc(cc1)[N+]#[C-]
Show InChI InChI=1S/C26H23N5/c1-16-3-5-18(6-4-16)26-20(17-7-9-19(27-2)10-8-17)11-25-24(30-26)14-29-31(25)15-23-21-12-28-13-22(21)23/h3-11,14,21-23,28H,12-13,15H2,1H3/t21-,22+,23+
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US10131664 (2018)

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


(Homo sapiens (Human))
BDBM50158880
PNG
(CHEMBL3785783 | US10131664, Example 16)
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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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US10131664 (2018)

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


(Homo sapiens (Human))
BDBM301025
PNG
(4-[5-(4-fluorophenyl)-2-{[(3S)- pyrrolidin-3- ylme...)
Show SMILES Fc1ccc(cc1)-c1cnc(NC[C@H]2CCNC2)nc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C22H20FN5/c23-19-7-5-17(6-8-19)20-14-27-22(26-13-16-9-10-25-12-16)28-21(20)18-3-1-15(11-24)2-4-18/h1-8,14,16,25H,9-10,12-13H2,(H,26,27,28)/t16-/m0/s1
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US10131664 (2018)

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


(Homo sapiens (Human))
BDBM301026
PNG
(4-[5-(4-chlorophenyl)-2-{[(3S)- pyrrolidin-3- ylme...)
Show SMILES Clc1ccc(cc1)-c1cnc(NC[C@H]2CCNC2)nc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C22H20ClN5/c23-19-7-5-17(6-8-19)20-14-27-22(26-13-16-9-10-25-12-16)28-21(20)18-3-1-15(11-24)2-4-18/h1-8,14,16,25H,9-10,12-13H2,(H,26,27,28)/t16-/m0/s1
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US10131664 (2018)

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


(Homo sapiens (Human))
BDBM301027
PNG
(4-[5-(4-methylphenyl)-2-[(3R)- pyrrolidin-3-ylmeth...)
Show SMILES Cc1ccc(cc1)-c1cnc(OC[C@@H]2CCNC2)nc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H22N4O/c1-16-2-6-19(7-3-16)21-14-26-23(28-15-18-10-11-25-13-18)27-22(21)20-8-4-17(12-24)5-9-20/h2-9,14,18,25H,10-11,13,15H2,1H3/t18-/m1/s1
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US10131664 (2018)

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


(Homo sapiens (Human))
BDBM301028
PNG
(4-{2-[(3aR,6aS)-octahydropyrrolo[3,4- c]pyrrol-2-y...)
Show SMILES Cc1ccc(cc1)-c1cnc(nc1-c1ccc(cc1)C#N)N1C[C@@H]2CNC[C@@H]2C1
Show InChI InChI=1S/C24H23N5/c1-16-2-6-18(7-3-16)22-13-27-24(29-14-20-11-26-12-21(20)15-29)28-23(22)19-8-4-17(10-25)5-9-19/h2-9,13,20-21,26H,11-12,14-15H2,1H3/t20-,21+
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US10131664 (2018)

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


(Homo sapiens (Human))
BDBM301029
PNG
(4-[5-(4-methylphenyl)-2-{octahydro- 1H-pyrrolo[3,4...)
Show SMILES Cc1ccc(cc1)-c1cnc(nc1-c1ccc(cc1)C#N)N1CCC2CNCC2C1
Show InChI InChI=1S/C25H25N5/c1-17-2-6-19(7-3-17)23-15-28-25(30-11-10-21-13-27-14-22(21)16-30)29-24(23)20-8-4-18(12-26)5-9-20/h2-9,15,21-22,27H,10-11,13-14,16H2,1H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US10131664 (2018)

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


(Homo sapiens (Human))
BDBM301030
PNG
(4-{2-[(3aR,8aS)-decahydropyrrolo[3,4- d]azepin-6-y...)
Show SMILES Cc1ccc(cc1)-c1cnc(nc1-c1ccc(cc1)C#N)N1CC[C@@H]2CNC[C@@H]2CC1
Show InChI InChI=1S/C26H27N5/c1-18-2-6-20(7-3-18)24-17-29-26(30-25(24)21-8-4-19(14-27)5-9-21)31-12-10-22-15-28-16-23(22)11-13-31/h2-9,17,22-23,28H,10-13,15-16H2,1H3/t22-,23+
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US10131664 (2018)

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


(Homo sapiens (Human))
BDBM301031
PNG
(4-{2-[(3aR,8aS)-decahydropyrrolo[3,4- d]azepin-6-y...)
Show SMILES Fc1ccc(cc1)-c1cnc(nc1-c1ccc(cc1)C#N)N1CC[C@@H]2CNC[C@@H]2CC1
Show InChI InChI=1S/C25H24FN5/c26-22-7-5-18(6-8-22)23-16-29-25(30-24(23)19-3-1-17(13-27)2-4-19)31-11-9-20-14-28-15-21(20)10-12-31/h1-8,16,20-21,28H,9-12,14-15H2/t20-,21+
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US10131664 (2018)

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


(Homo sapiens (Human))
BDBM301032
PNG
(4-(2-{[(3S)-pyrrolidin-3- ylmethyl]amino}-5-[4- (t...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1cnc(NC[C@H]2CCNC2)nc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H20F3N5/c24-23(25,26)19-7-5-17(6-8-19)20-14-30-22(29-13-16-9-10-28-12-16)31-21(20)18-3-1-15(11-27)2-4-18/h1-8,14,16,28H,9-10,12-13H2,(H,29,30,31)/t16-/m0/s1
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US10131664 (2018)

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


(Homo sapiens (Human))
BDBM301033
PNG
(4-[5-(2-cyclopropylethynyl)-2-{[(3S)- pyrrolidin-3...)
Show SMILES N#Cc1ccc(cc1)-c1nc(NC[C@H]2CCNC2)ncc1C#CC1CC1
Show InChI InChI=1S/C21H21N5/c22-11-16-4-6-18(7-5-16)20-19(8-3-15-1-2-15)14-25-21(26-20)24-13-17-9-10-23-12-17/h4-7,14-15,17,23H,1-2,9-10,12-13H2,(H,24,25,26)/t17-/m0/s1
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US10131664 (2018)

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


(Homo sapiens (Human))
BDBM301035
PNG
((+-)-4-(2-{[(3-fluoropyrrolidin-3- yl)methyl]amino...)
Show SMILES Cc1ccc(cc1)-c1cnc(NCC2(F)CCNC2)nc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H22FN5/c1-16-2-6-18(7-3-16)20-13-27-22(28-15-23(24)10-11-26-14-23)29-21(20)19-8-4-17(12-25)5-9-19/h2-9,13,26H,10-11,14-15H2,1H3,(H,27,28,29)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US10131664 (2018)

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


(Homo sapiens (Human))
BDBM301036
PNG
((+-)-4-[5-(4-methylphenyl)-2- [(piperidin-3-yl)ami...)
Show SMILES Cc1ccc(cc1)-c1cnc(NC2CCCNC2)nc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H23N5/c1-16-4-8-18(9-5-16)21-15-26-23(27-20-3-2-12-25-14-20)28-22(21)19-10-6-17(13-24)7-11-19/h4-11,15,20,25H,2-3,12,14H2,1H3,(H,26,27,28)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US10131664 (2018)

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


(Homo sapiens (Human))
BDBM301037
PNG
(4-[5-(4-methylphenyl)-2-[(piperidin-4- yl)amino]py...)
Show SMILES Cc1ccc(cc1)-c1cnc(NC2CCNCC2)nc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H23N5/c1-16-2-6-18(7-3-16)21-15-26-23(27-20-10-12-25-13-11-20)28-22(21)19-8-4-17(14-24)5-9-19/h2-9,15,20,25H,10-13H2,1H3,(H,26,27,28)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US10131664 (2018)

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


(Homo sapiens (Human))
BDBM301038
PNG
((+-)-4-[5-(4-methylphenyl)-2- [(piperidin-3- ylmet...)
Show SMILES Cc1ccc(cc1)-c1cnc(NCC2CCCNC2)nc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H25N5/c1-17-4-8-20(9-5-17)22-16-28-24(27-15-19-3-2-12-26-14-19)29-23(22)21-10-6-18(13-25)7-11-21/h4-11,16,19,26H,2-3,12,14-15H2,1H3,(H,27,28,29)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US10131664 (2018)

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


(Homo sapiens (Human))
BDBM301039
PNG
(4-[5-(4-methylphenyl)-2-[(piperidin-4- ylmethyl)am...)
Show SMILES Cc1ccc(cc1)-c1cnc(NCC2CCNCC2)nc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H25N5/c1-17-2-6-20(7-3-17)22-16-28-24(27-15-19-10-12-26-13-11-19)29-23(22)21-8-4-18(14-25)5-9-21/h2-9,16,19,26H,10-13,15H2,1H3,(H,27,28,29)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US10131664 (2018)

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


(Homo sapiens (Human))
BDBM301040
PNG
((+-)-4-[5-(4-methylphenyl)-2- [(morpholin-2- ylmet...)
Show SMILES Cc1ccc(cc1)-c1cnc(NCC2CNCCO2)nc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H23N5O/c1-16-2-6-18(7-3-16)21-15-27-23(26-14-20-13-25-10-11-29-20)28-22(21)19-8-4-17(12-24)5-9-19/h2-9,15,20,25H,10-11,13-14H2,1H3,(H,26,27,28)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US10131664 (2018)

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


(Homo sapiens (Human))
BDBM301042
PNG
(4-(2-{2,7-diazaspiro[4.4]nonan-2-yl}- 5-(4-methylp...)
Show SMILES Cc1ccc(cc1)-c1cnc(nc1-c1ccc(cc1)C#N)N1CCC2(CCNC2)C1
Show InChI InChI=1S/C25H25N5/c1-18-2-6-20(7-3-18)22-15-28-24(30-13-11-25(17-30)10-12-27-16-25)29-23(22)21-8-4-19(14-26)5-9-21/h2-9,15,27H,10-13,16-17H2,1H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US10131664 (2018)

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


(Homo sapiens (Human))
BDBM301043
PNG
(4-(2-{2,8-diazaspiro[4.5]decan-2-yl}- 5-(4-methylp...)
Show SMILES Cc1ccc(cc1)-c1cnc(nc1-c1ccc(cc1)C#N)N1CCC2(C1)CCNCC2
Show InChI InChI=1S/C26H27N5/c1-19-2-6-21(7-3-19)23-17-29-25(30-24(23)22-8-4-20(16-27)5-9-22)31-15-12-26(18-31)10-13-28-14-11-26/h2-9,17,28H,10-15,18H2,1H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US10131664 (2018)

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


(Homo sapiens (Human))
BDBM301044
PNG
(4-[5-(4-methylphenyl)-2-{octahydro- 1H-pyrrolo[3,4...)
Show SMILES Cc1ccc(cc1)-c1cnc(nc1-c1ccc(cc1)C#N)N1CC2CCNCC2C1
Show InChI InChI=1S/C25H25N5/c1-17-2-6-19(7-3-17)23-14-28-25(30-15-21-10-11-27-13-22(21)16-30)29-24(23)20-8-4-18(12-26)5-9-20/h2-9,14,21-22,27H,10-11,13,15-16H2,1H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US10131664 (2018)

More data for this
Ligand-Target Pair
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