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Compile Data Set for Download or QSAR

Found 4319 hits of ic50 data for polymerid = 5309,5309   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM369539
PNG
(US10233152, Example 64)
Show SMILES Brc1ccc(OCCN2CC(CN[C@@H]3C[C@H]3c3ccccc3)C2)cc1
Show InChI InChI=1/C21H25BrN2O/c22-18-6-8-19(9-7-18)25-11-10-24-14-16(15-24)13-23-21-12-20(21)17-4-2-1-3-5-17/h1-9,16,20-21,23H,10-15H2/t20-,21+/s2
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n/an/a 0.900n/an/an/an/an/an/a



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 US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369495
PNG
(US10233152, Example 33)
Show SMILES Brc1ccc(NCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C22H28BrN3/c23-18-6-8-19(9-7-18)24-12-15-26-13-10-20(11-14-26)25-22-16-21(22)17-4-2-1-3-5-17/h1-9,20-22,24-25H,10-16H2/t21-,22+/s2
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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 US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369535
PNG
(US10233152, Example 60)
Show SMILES O=S(=O)(NCCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)c1ccccc1
Show InChI InChI=1/C22H29N3O2S/c26-28(27,20-9-5-2-6-10-20)23-13-16-25-14-11-19(12-15-25)24-22-17-21(22)18-7-3-1-4-8-18/h1-10,19,21-24H,11-17H2/t21-,22+/s2
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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 US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369621
PNG
(US10233152, Example 128)
Show SMILES CNS(=O)(=O)CCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1/C17H27N3O2S/c1-18-23(21,22)12-11-20-9-7-15(8-10-20)19-17-13-16(17)14-5-3-2-4-6-14/h2-6,15-19H,7-13H2,1H3/t16-,17+/s2
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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 US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369532
PNG
(US10233152, Example 57)
Show SMILES O=C1OCCN1c1ccc(NCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C25H32N4O2/c30-25-29(16-17-31-25)22-8-6-20(7-9-22)26-12-15-28-13-10-21(11-14-28)27-24-18-23(24)19-4-2-1-3-5-19/h1-9,21,23-24,26-27H,10-18H2/t23-,24+/s2
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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 US10233152 (2019)

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


(Homo sapiens (Human))
BDBM50278411
PNG
(CHEMBL4170367)
Show SMILES Cl.N[C@H]1CC[C@@H](CC1)N[C@H]1[C@H]2Cc3ccccc3[C@@H]12
Show InChI InChI=1S/C16H22N2.ClH/c17-11-5-7-12(8-6-11)18-16-14-9-10-3-1-2-4-13(10)15(14)16;/h1-4,11-12,14-16,18H,5-9,17H2;1H/t11-,12-,14-,15+,16-;/m0./s1
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n/an/a 2.20n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His/GST-tagged LSD1 (172 to 852 residues) expressed in baculovirus infected insect cells using biotin-labe...


Eur J Med Chem 141: 101-112 (2017)

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


(Homo sapiens (Human))
BDBM50279574
PNG
(CHEMBL4173886)
Show SMILES Cc1cc2n(cc(-c3cccc(N)c3C)c2cc1C#N)[C@H]1CC[C@H](O)CC1
Show InChI InChI=1S/C23H25N3O/c1-14-10-23-20(11-16(14)12-24)21(19-4-3-5-22(25)15(19)2)13-26(23)17-6-8-18(27)9-7-17/h3-5,10-11,13,17-18,27H,6-9,25H2,1-2H3/t17-,18-
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Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length LSD1 (unknown origin) using H3K4me1 as substrate incubated for 30 mins followed by substrate addition measured after 60 min...


ACS Med Chem Lett 8: 1134-1135 (2017)

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


(Homo sapiens (Human))
BDBM50279572
PNG
(CHEMBL4166623)
Show SMILES Cc1cc2n(cc(-c3cccc(N)c3C)c2cc1C#N)[C@@H]1CC[C@@H](O)C1
Show InChI InChI=1S/C22H23N3O/c1-13-8-22-19(9-15(13)11-23)20(18-4-3-5-21(24)14(18)2)12-25(22)16-6-7-17(26)10-16/h3-5,8-9,12,16-17,26H,6-7,10,24H2,1-2H3/t16-,17-/m1/s1
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Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length LSD1 (unknown origin) using H3K4me1 as substrate incubated for 30 mins followed by substrate addition measured after 60 min...


ACS Med Chem Lett 8: 1134-1135 (2017)

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


(Homo sapiens (Human))
BDBM369650
PNG
(US10233152, Example 157)
Show SMILES OC(=O)Cc1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)c(Cl)c1
Show InChI InChI=1/C24H29ClN2O3/c25-21-14-17(15-24(28)29)6-7-23(21)30-13-12-27-10-8-19(9-11-27)26-22-16-20(22)18-4-2-1-3-5-18/h1-7,14,19-20,22,26H,8-13,15-16H2,(H,28,29)/t20-,22+/s2
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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 US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369496
PNG
(US10233152, Example 34)
Show SMILES OC(COc1ccc(cc1)C(O)=O)CN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1/C24H30N2O4/c27-20(16-30-21-8-6-18(7-9-21)24(28)29)15-26-12-10-19(11-13-26)25-23-14-22(23)17-4-2-1-3-5-17/h1-9,19-20,22-23,25,27H,10-16H2,(H,28,29)/t20?,22-,23+/s2
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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 US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369533
PNG
(US10233152, Example 58)
Show SMILES CN1CCN(C1=O)c1ccc(NCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C26H35N5O/c1-29-17-18-31(26(29)32)23-9-7-21(8-10-23)27-13-16-30-14-11-22(12-15-30)28-25-19-24(25)20-5-3-2-4-6-20/h2-10,22,24-25,27-28H,11-19H2,1H3/t24-,25+/s2
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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 US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369478
PNG
(N,N-Dimethyl-2-(4-(2-(4-(((1R,2S)-2-phenylcyclopro...)
Show SMILES CONC(=O)Cc1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C25H33N3O3/c1-30-27-25(29)17-19-7-9-22(10-8-19)31-16-15-28-13-11-21(12-14-28)26-24-18-23(24)20-5-3-2-4-6-20/h2-10,21,23-24,26H,11-18H2,1H3,(H,27,29)/t23-,24+/s2
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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 US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369484
PNG
(US10233152, Example 24)
Show SMILES O=C1OCCCN1c1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C26H33N3O3/c30-26-29(13-4-17-32-26)22-7-9-23(10-8-22)31-18-16-28-14-11-21(12-15-28)27-25-19-24(25)20-5-2-1-3-6-20/h1-3,5-10,21,24-25,27H,4,11-19H2/t24-,25+/s2
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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 US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369512
PNG
(US10233152, Example 50)
Show SMILES O=C1CCCCN1c1ccc(NCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C27H36N4O/c32-27-8-4-5-16-31(27)24-11-9-22(10-12-24)28-15-19-30-17-13-23(14-18-30)29-26-20-25(26)21-6-2-1-3-7-21/h1-3,6-7,9-12,23,25-26,28-29H,4-5,8,13-20H2/t25-,26+/s2
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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 US10233152 (2019)

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


(Homo sapiens (Human))
BDBM50279575
PNG
(CHEMBL4163180)
Show SMILES Cc1cc2n(cc(-c3cccc(N)c3C)c2cc1C#N)[C@@H]1C[C@H](O)C1
Show InChI InChI=1S/C21H21N3O/c1-12-6-21-18(7-14(12)10-22)19(11-24(21)15-8-16(25)9-15)17-4-3-5-20(23)13(17)2/h3-7,11,15-16,25H,8-9,23H2,1-2H3/t15-,16+
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Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length LSD1 (unknown origin) using H3K4me1 as substrate incubated for 30 mins followed by substrate addition measured after 60 min...


ACS Med Chem Lett 8: 1134-1135 (2017)

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


(Homo sapiens (Human))
BDBM50279571
PNG
(CHEMBL4175912)
Show SMILES CN[C@H]1CC[C@H](CC1)n1cc(-c2cccc(N)c2C)c2cc(C#N)c(C)cc12
Show InChI InChI=1S/C24H28N4/c1-15-11-24-21(12-17(15)13-25)22(20-5-4-6-23(26)16(20)2)14-28(24)19-9-7-18(27-3)8-10-19/h4-6,11-12,14,18-19,27H,7-10,26H2,1-3H3/t18-,19+
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Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length LSD1 (unknown origin) using H3K4me1 as substrate incubated for 30 mins followed by substrate addition measured after 60 min...


ACS Med Chem Lett 8: 1134-1135 (2017)

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


(Homo sapiens (Human))
BDBM369530
PNG
(US10233152, Example 55)
Show SMILES CN1CCN(CC1)c1ccc(NCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C27H39N5/c1-30-17-19-32(20-18-30)25-9-7-23(8-10-25)28-13-16-31-14-11-24(12-15-31)29-27-21-26(27)22-5-3-2-4-6-22/h2-10,24,26-29H,11-21H2,1H3/t26-,27+/s2
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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 US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369541
PNG
(US10233152, Example 66)
Show SMILES Clc1ccc(OCCN2CC(CN[C@@H]3C[C@H]3c3ccccc3)C2)c(Cl)c1
Show InChI InChI=1/C21H24Cl2N2O/c22-17-6-7-21(19(23)10-17)26-9-8-25-13-15(14-25)12-24-20-11-18(20)16-4-2-1-3-5-16/h1-7,10,15,18,20,24H,8-9,11-14H2/t18-,20+/s2
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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 US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369551
PNG
(US10233152, Example 74)
Show SMILES O=C(NS(=O)(=O)c1ccccc1)c1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C29H33N3O4S/c33-29(31-37(34,35)26-9-5-2-6-10-26)23-11-13-25(14-12-23)36-20-19-32-17-15-24(16-18-32)30-28-21-27(28)22-7-3-1-4-8-22/h1-14,24,27-28,30H,15-21H2,(H,31,33)/t27-,28+/s2
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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 US10233152 (2019)

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=1/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+/s2
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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)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2ZC84XW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM369576
PNG
(US10233152, Example 91)
Show SMILES CN(CCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)c1ccc(cc1)N1CCCOC1=O
Show InChI InChI=1/C27H36N4O2/c1-29(23-8-10-24(11-9-23)31-14-5-19-33-27(31)32)17-18-30-15-12-22(13-16-30)28-26-20-25(26)21-6-3-2-4-7-21/h2-4,6-11,22,25-26,28H,5,12-20H2,1H3/t25-,26+/s2
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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 US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369476
PNG
(N-(Methylsulfonyl)-2-(4-(2-(4-(((1R,2S)-2-phenylcy...)
Show SMILES O=C(Cc1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1/C30H35N3O4S/c34-30(32-38(35,36)27-9-5-2-6-10-27)21-23-11-13-26(14-12-23)37-20-19-33-17-15-25(16-18-33)31-29-22-28(29)24-7-3-1-4-8-24/h1-14,25,28-29,31H,15-22H2,(H,32,34)/t28-,29+/s2
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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 US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369483
PNG
(US10233152, Example 23)
Show SMILES CN1CCN(C1=O)c1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C26H34N4O2/c1-28-15-16-30(26(28)31)22-7-9-23(10-8-22)32-18-17-29-13-11-21(12-14-29)27-25-19-24(25)20-5-3-2-4-6-20/h2-10,21,24-25,27H,11-19H2,1H3/t24-,25+/s2
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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 US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369491
PNG
(US10233152, Example 29)
Show SMILES C(CN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)Nc1ccccc1
Show InChI InChI=1/C22H29N3/c1-3-7-18(8-4-1)21-17-22(21)24-20-11-14-25(15-12-20)16-13-23-19-9-5-2-6-10-19/h1-10,20-24H,11-17H2/t21-,22+/s2
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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 US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369574
PNG
(US10233152, Example 89)
Show SMILES CN1CCN(CC1)c1ccc(OCCN2CC(CN[C@@H]3C[C@H]3c3ccccc3)C2)nc1
Show InChI InChI=1/C25H35N5O/c1-28-9-11-30(12-10-28)22-7-8-25(27-17-22)31-14-13-29-18-20(19-29)16-26-24-15-23(24)21-5-3-2-4-6-21/h2-8,17,20,23-24,26H,9-16,18-19H2,1H3/t23-,24+/s2
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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 US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369643
PNG
(US10233152, Example 150)
Show SMILES O=C(CCCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)N1CCNCC1
Show InChI InChI=1/C22H34N4O/c27-22(26-15-10-23-11-16-26)7-4-12-25-13-8-19(9-14-25)24-21-17-20(21)18-5-2-1-3-6-18/h1-3,5-6,19-21,23-24H,4,7-17H2/t20-,21+/s2
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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 US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369531
PNG
(US10233152, Example 56)
Show SMILES O=C1CCCN1c1ccc(NCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C26H34N4O/c31-26-7-4-15-30(26)23-10-8-21(9-11-23)27-14-18-29-16-12-22(13-17-29)28-25-19-24(25)20-5-2-1-3-6-20/h1-3,5-6,8-11,22,24-25,27-28H,4,7,12-19H2/t24-,25+/s2
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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 US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369550
PNG
(US10233152, Example 73)
Show SMILES O=C(NS(=O)(=O)C1CC1)c1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C26H33N3O4S/c30-26(28-34(31,32)23-10-11-23)20-6-8-22(9-7-20)33-17-16-29-14-12-21(13-15-29)27-25-18-24(25)19-4-2-1-3-5-19/h1-9,21,23-25,27H,10-18H2,(H,28,30)/t24-,25+/s2
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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 US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369580
PNG
(US10233152, Example 95)
Show SMILES Cc1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C23H30N2O/c1-18-7-9-21(10-8-18)26-16-15-25-13-11-20(12-14-25)24-23-17-22(23)19-5-3-2-4-6-19/h2-10,20,22-24H,11-17H2,1H3/t22-,23+/s2
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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 US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369593
PNG
(US10233152, Example 104)
Show SMILES O=C1CCc2cc(OCCN3CCC(CC3)N[C@@H]3C[C@H]3c3ccccc3)ccc2N1
Show InChI InChI=1/C25H31N3O2/c29-25-9-6-19-16-21(7-8-23(19)27-25)30-15-14-28-12-10-20(11-13-28)26-24-17-22(24)18-4-2-1-3-5-18/h1-5,7-8,16,20,22,24,26H,6,9-15,17H2,(H,27,29)/t22-,24+/s2
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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 US10233152 (2019)

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=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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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))
BDBM369480
PNG
(1-[2-(4-morpholinophenoxy)ethyl]-N—[(R, 2S)-2...)
Show SMILES C(CN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)Oc1ccc(cc1)N1CCOCC1
Show InChI InChI=1/C26H35N3O2/c1-2-4-21(5-3-1)25-20-26(25)27-22-10-12-28(13-11-22)14-19-31-24-8-6-23(7-9-24)29-15-17-30-18-16-29/h1-9,22,25-27H,10-20H2/t25-,26+/s2
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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 US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369481
PNG
(US10233152, Example 21)
Show SMILES CN1CCN(CC1)c1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C27H38N4O/c1-29-15-17-31(18-16-29)24-7-9-25(10-8-24)32-20-19-30-13-11-23(12-14-30)28-27-21-26(27)22-5-3-2-4-6-22/h2-10,23,26-28H,11-21H2,1H3/t26-,27+/s2
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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 US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369482
PNG
(US10233152, Example 22)
Show SMILES O=C1OCCN1c1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C25H31N3O3/c29-25-28(15-17-31-25)21-6-8-22(9-7-21)30-16-14-27-12-10-20(11-13-27)26-24-18-23(24)19-4-2-1-3-5-19/h1-9,20,23-24,26H,10-18H2/t23-,24+/s2
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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 US10233152 (2019)

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=1/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+/s2
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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)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2ZC84XW
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=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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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))
BDBM369472
PNG
(1-[2-(4-bromophenoxy)ethyl]-N-[(1R,2S)-2-phenylcyc...)
Show SMILES Brc1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C22H27BrN2O/c23-18-6-8-20(9-7-18)26-15-14-25-12-10-19(11-13-25)24-22-16-21(22)17-4-2-1-3-5-17/h1-9,19,21-22,24H,10-16H2/t21-,22+/s2
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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 US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369570
PNG
(US10233152, Example 85)
Show SMILES Cc1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cn1
Show InChI InChI=1/C22H29N3O/c1-17-7-8-20(16-23-17)26-14-13-25-11-9-19(10-12-25)24-22-15-21(22)18-5-3-2-4-6-18/h2-8,16,19,21-22,24H,9-15H2,1H3/t21-,22+/s2
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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 US10233152 (2019)

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=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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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))
BDBM369513
PNG
(US10233152, Example 51)
Show SMILES O=C1OCCCN1c1ccc(NCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C26H34N4O2/c31-26-30(14-4-18-32-26)23-9-7-21(8-10-23)27-13-17-29-15-11-22(12-16-29)28-25-19-24(25)20-5-2-1-3-6-20/h1-3,5-10,22,24-25,27-28H,4,11-19H2/t24-,25+/s2
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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 US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369514
PNG
(US10233152, Example 52)
Show SMILES O=C1COCCN1c1ccc(NCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C26H34N4O2/c31-26-19-32-17-16-30(26)23-8-6-21(7-9-23)27-12-15-29-13-10-22(11-14-29)28-25-18-24(25)20-4-2-1-3-5-20/h1-9,22,24-25,27-28H,10-19H2/t24-,25+/s2
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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 US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369545
PNG
(US10233152, Example 68)
Show SMILES Fc1ccc(OCCN2CC(CN[C@@H]3C[C@H]3c3ccccc3)C2)c(F)c1
Show InChI InChI=1/C21H24F2N2O/c22-17-6-7-21(19(23)10-17)26-9-8-25-13-15(14-25)12-24-20-11-18(20)16-4-2-1-3-5-16/h1-7,10,15,18,20,24H,8-9,11-14H2/t18-,20+/s2
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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 US10233152 (2019)

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=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)


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))
BDBM369594
PNG
(US10233152, Example 105)
Show SMILES O=C1Cc2cc(OCCN3CCC(CC3)N[C@@H]3C[C@H]3c3ccccc3)ccc2N1
Show InChI InChI=1/C24H29N3O2/c28-24-15-18-14-20(6-7-22(18)26-24)29-13-12-27-10-8-19(9-11-27)25-23-16-21(23)17-4-2-1-3-5-17/h1-7,14,19,21,23,25H,8-13,15-16H2,(H,26,28)/t21-,23+/s2
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n/an/a 6n/an/an/an/an/an/a



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 US10233152 (2019)

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=1/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+/s2
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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)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2ZC84XW
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=1/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+/s2
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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)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2ZC84XW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50278459
PNG
(CHEMBL4176756)
Show SMILES Cl.N[C@H]1CC[C@H](CC1)N[C@H]1[C@H]2Cc3ccccc3[C@@H]12
Show InChI InChI=1S/C16H22N2.ClH/c17-11-5-7-12(8-6-11)18-16-14-9-10-3-1-2-4-13(10)15(14)16;/h1-4,11-12,14-16,18H,5-9,17H2;1H/t11-,12+,14-,15+,16-;/m0./s1
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n/an/a 6.40n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His/GST-tagged LSD1 (172 to 852 residues) expressed in baculovirus infected insect cells using biotin-labe...


Eur J Med Chem 141: 101-112 (2017)

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


(Homo sapiens (Human))
BDBM50236898
PNG
((1S,2R)-(+)-2-phenylcyclopropylamine | CHEMBL25799...)
Show SMILES N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/s2
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n/an/a 6.5n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


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


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

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


(Homo sapiens (Human))
BDBM369630
PNG
(US10233152, Example 137)
Show SMILES O=c1[nH]c2ccc(OCCN3CCC(CC3)N[C@@H]3C[C@H]3c3ccccc3)cc2o1
Show InChI InChI=1/C23H27N3O3/c27-23-25-20-7-6-18(14-22(20)29-23)28-13-12-26-10-8-17(9-11-26)24-21-15-19(21)16-4-2-1-3-5-16/h1-7,14,17,19,21,24H,8-13,15H2,(H,25,27)/t19-,21+/s2
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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 US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369529
PNG
(US10233152, Example 54)
Show SMILES C(CN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)Nc1ccc(cc1)N1CCOCC1
Show InChI InChI=1/C26H36N4O/c1-2-4-21(5-3-1)25-20-26(25)28-23-10-13-29(14-11-23)15-12-27-22-6-8-24(9-7-22)30-16-18-31-19-17-30/h1-9,23,25-28H,10-20H2/t25-,26+/s2
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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 US10233152 (2019)

More data for this
Ligand-Target Pair
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