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Compile Data Set for Download or QSAR

Found 119 hits of ic50 data for complexid = 50000438,50014825   
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
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
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
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50236456
PNG
(CHEMBL4081995)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(OC[C@@H]2CCNC2)cc1
Show InChI InChI=1S/C26H27N3O3S/c1-29-23-11-13-33-25(23)14-24(29)26(30)28-22-5-3-2-4-19(22)17-32-21-8-6-20(7-9-21)31-16-18-10-12-27-15-18/h2-9,11,13-14,18,27H,10,12,15-17H2,1H3,(H,28,30)/t18-/m1/s1
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n/an/a 18n/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))
BDBM50236457
PNG
(CHEMBL4074211)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(OCC2CCNC2)cc1
Show InChI InChI=1S/C26H27N3O3S/c1-29-23-11-13-33-25(23)14-24(29)26(30)28-22-5-3-2-4-19(22)17-32-21-8-6-20(7-9-21)31-16-18-10-12-27-15-18/h2-9,11,13-14,18,27H,10,12,15-17H2,1H3,(H,28,30)
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n/an/a 22n/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))
BDBM50236451
PNG
(CHEMBL4080514)
Show SMILES COCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc1ccc(OC2CCCNCC2)cc1
Show InChI InChI=1S/C29H33N3O4S/c1-32-26-13-16-37-28(26)17-27(32)29(33)31-25-7-3-5-20(18-34-2)24(25)19-35-21-8-10-23(11-9-21)36-22-6-4-14-30-15-12-22/h3,5,7-11,13,16-17,22,30H,4,6,12,14-15,18-19H2,1-2H3,(H,31,33)
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n/an/a 29n/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))
BDBM50236468
PNG
(CHEMBL4061143)
Show SMILES CCOCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc1ccc(OC2CCNCC2)cc1
Show InChI InChI=1S/C29H33N3O4S/c1-3-34-18-20-5-4-6-25(31-29(33)27-17-28-26(32(27)2)13-16-37-28)24(20)19-35-21-7-9-22(10-8-21)36-23-11-14-30-15-12-23/h4-10,13,16-17,23,30H,3,11-12,14-15,18-19H2,1-2H3,(H,31,33)
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n/an/a 56n/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))
BDBM50236459
PNG
(CHEMBL4100964)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(OC2CCCNCC2)cc1
Show InChI InChI=1S/C27H29N3O3S/c1-30-24-13-16-34-26(24)17-25(30)27(31)29-23-7-3-2-5-19(23)18-32-20-8-10-22(11-9-20)33-21-6-4-14-28-15-12-21/h2-3,5,7-11,13,16-17,21,28H,4,6,12,14-15,18H2,1H3,(H,29,31)
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n/an/a 64n/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))
BDBM50236469
PNG
(CHEMBL4083022)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1cccc(CN2CCOCC2)c1COc1ccc(OC2CCNCC2)cc1
Show InChI InChI=1S/C31H36N4O4S/c1-34-28-11-18-40-30(28)19-29(34)31(36)33-27-4-2-3-22(20-35-14-16-37-17-15-35)26(27)21-38-23-5-7-24(8-6-23)39-25-9-12-32-13-10-25/h2-8,11,18-19,25,32H,9-10,12-17,20-21H2,1H3,(H,33,36)
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n/an/a 65n/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))
BDBM50236470
PNG
(CHEMBL4099458)
Show SMILES CC(C)OCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc1ccc(OC2CCNCC2)cc1
Show InChI InChI=1S/C30H35N3O4S/c1-20(2)35-18-21-5-4-6-26(32-30(34)28-17-29-27(33(28)3)13-16-38-29)25(21)19-36-22-7-9-23(10-8-22)37-24-11-14-31-15-12-24/h4-10,13,16-17,20,24,31H,11-12,14-15,18-19H2,1-3H3,(H,32,34)
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n/an/a 66n/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))
BDBM50236467
PNG
(CHEMBL4073106)
Show SMILES COCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc1ccc(OC2CCNCC2)cc1
Show InChI InChI=1S/C28H31N3O4S/c1-31-25-12-15-36-27(25)16-26(31)28(32)30-24-5-3-4-19(17-33-2)23(24)18-34-20-6-8-21(9-7-20)35-22-10-13-29-14-11-22/h3-9,12,15-16,22,29H,10-11,13-14,17-18H2,1-2H3,(H,30,32)
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n/an/a 75n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at striatal nerve endings by dopamine transporter


J Med Chem 60: 1693-1715 (2017)

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


(Homo sapiens (Human))
BDBM50236452
PNG
(CHEMBL4098535)
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-/m0/s1
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n/an/a 86n/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))
BDBM50236443
PNG
(CHEMBL4082148)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(OC2CCNCC2)cc1
Show InChI InChI=1S/C26H27N3O3S/c1-29-23-12-15-33-25(23)16-24(29)26(30)28-22-5-3-2-4-18(22)17-31-19-6-8-20(9-7-19)32-21-10-13-27-14-11-21/h2-9,12,15-16,21,27H,10-11,13-14,17H2,1H3,(H,28,30)
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n/an/a 90n/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))
BDBM50236460
PNG
(CHEMBL4084510)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(O[C@@H]2CC[C@H](N)CC2)cc1
Show InChI InChI=1S/C27H29N3O3S/c1-30-24-14-15-34-26(24)16-25(30)27(31)29-23-5-3-2-4-18(23)17-32-20-10-12-22(13-11-20)33-21-8-6-19(28)7-9-21/h2-5,10-16,19,21H,6-9,17,28H2,1H3,(H,29,31)/t19-,21+
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n/an/a 121n/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))
BDBM50236461
PNG
(CHEMBL4062833)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(OC2C[C@@H]3CC[C@H](C2)N3)cc1
Show InChI InChI=1S/C28H29N3O3S/c1-31-25-12-13-35-27(25)16-26(31)28(32)30-24-5-3-2-4-18(24)17-33-21-8-10-22(11-9-21)34-23-14-19-6-7-20(15-23)29-19/h2-5,8-13,16,19-20,23,29H,6-7,14-15,17H2,1H3,(H,30,32)/t19-,20+,23?
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n/an/a 124n/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))
BDBM50236462
PNG
(CHEMBL4091932)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(OCC2CCNCC2)cc1
Show InChI InChI=1S/C27H29N3O3S/c1-30-24-12-15-34-26(24)16-25(30)27(31)29-23-5-3-2-4-20(23)18-33-22-8-6-21(7-9-22)32-17-19-10-13-28-14-11-19/h2-9,12,15-16,19,28H,10-11,13-14,17-18H2,1H3,(H,29,31)
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n/an/a 149n/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))
BDBM50236366
PNG
(CHEMBL4083038)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1cccc(COc2ccc(OC3CCNCC3)cc2)c1
Show InChI InChI=1S/C26H27N3O3S/c1-29-23-11-14-33-25(23)16-24(29)26(30)28-19-4-2-3-18(15-19)17-31-20-5-7-21(8-6-20)32-22-9-12-27-13-10-22/h2-8,11,14-16,22,27H,9-10,12-13,17H2,1H3,(H,28,30)
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n/an/a 160n/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))
BDBM50236366
PNG
(CHEMBL4083038)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1cccc(COc2ccc(OC3CCNCC3)cc2)c1
Show InChI InChI=1S/C26H27N3O3S/c1-29-23-11-14-33-25(23)16-24(29)26(30)28-19-4-2-3-18(15-19)17-31-20-5-7-21(8-6-20)32-22-9-12-27-13-10-22/h2-8,11,14-16,22,27H,9-10,12-13,17H2,1H3,(H,28,30)
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n/an/a 160n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- 5-HT binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells


J Med Chem 60: 1673-1692 (2017)

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


(Homo sapiens (Human))
BDBM50236445
PNG
(CHEMBL4097729)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1CCc1ccc(OC2CCNCC2)cc1
Show InChI InChI=1S/C27H29N3O2S/c1-30-24-14-17-33-26(24)18-25(30)27(31)29-23-5-3-2-4-20(23)9-6-19-7-10-21(11-8-19)32-22-12-15-28-16-13-22/h2-5,7-8,10-11,14,17-18,22,28H,6,9,12-13,15-16H2,1H3,(H,29,31)
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n/an/a 177n/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))
BDBM50236499
PNG
(CHEMBL4085481)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(C[C@H]2CCNC2)cc1
Show InChI InChI=1S/C26H27N3O2S/c1-29-23-11-13-32-25(23)15-24(29)26(30)28-22-5-3-2-4-20(22)17-31-21-8-6-18(7-9-21)14-19-10-12-27-16-19/h2-9,11,13,15,19,27H,10,12,14,16-17H2,1H3,(H,28,30)/t19-/m1/s1
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n/an/a 209n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at striatal nerve endings by dopamine transporter


J Med Chem 60: 1693-1715 (2017)

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


(Homo sapiens (Human))
BDBM50236453
PNG
(CHEMBL4068323)
Show SMILES CN1CCC(CC1)Oc1ccc(OCc2ccccc2NC(=O)c2cc3sccc3n2C)cc1
Show InChI InChI=1S/C27H29N3O3S/c1-29-14-11-22(12-15-29)33-21-9-7-20(8-10-21)32-18-19-5-3-4-6-23(19)28-27(31)25-17-26-24(30(25)2)13-16-34-26/h3-10,13,16-17,22H,11-12,14-15,18H2,1-2H3,(H,28,31)
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n/an/a 310n/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))
BDBM50236446
PNG
(CHEMBL4070580)
Show SMILES CN1CCC(CC1)Oc1ccc(COc2ccccc2NC(=O)c2cc3sccc3n2C)cc1
Show InChI InChI=1S/C27H29N3O3S/c1-29-14-11-21(12-15-29)33-20-9-7-19(8-10-20)18-32-25-6-4-3-5-22(25)28-27(31)24-17-26-23(30(24)2)13-16-34-26/h3-10,13,16-17,21H,11-12,14-15,18H2,1-2H3,(H,28,31)
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n/an/a 336n/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))
BDBM50236506
PNG
(CHEMBL4082560)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(cc1)[C@H]1CC[C@H](N)CC1
Show InChI InChI=1S/C27H29N3O2S/c1-30-24-14-15-33-26(24)16-25(30)27(31)29-23-5-3-2-4-20(23)17-32-22-12-8-19(9-13-22)18-6-10-21(28)11-7-18/h2-5,8-9,12-16,18,21H,6-7,10-11,17,28H2,1H3,(H,29,31)/t18-,21-
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n/an/a 340n/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))
BDBM50236365
PNG
(CHEMBL4090002)
Show SMILES CN1CCC(CC1)Oc1ccc(OCc2cccc(NC(=O)c3cc4sccc4n3C)c2)cc1
Show InChI InChI=1S/C27H29N3O3S/c1-29-13-10-23(11-14-29)33-22-8-6-21(7-9-22)32-18-19-4-3-5-20(16-19)28-27(31)25-17-26-24(30(25)2)12-15-34-26/h3-9,12,15-17,23H,10-11,13-14,18H2,1-2H3,(H,28,31)
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n/an/a 440n/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))
BDBM50236365
PNG
(CHEMBL4090002)
Show SMILES CN1CCC(CC1)Oc1ccc(OCc2cccc(NC(=O)c3cc4sccc4n3C)c2)cc1
Show InChI InChI=1S/C27H29N3O3S/c1-29-13-10-23(11-14-29)33-22-8-6-21(7-9-22)32-18-19-4-3-5-20(16-19)28-27(31)25-17-26-24(30(25)2)12-15-34-26/h3-9,12,15-17,23H,10-11,13-14,18H2,1-2H3,(H,28,31)
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n/an/a 440n/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
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50236508
PNG
(CHEMBL4060684)
Show SMILES CCN1CCC(CC1)Oc1ccc(OCc2ccccc2NC(=O)c2cc3sccc3n2C)cc1
Show InChI InChI=1S/C28H31N3O3S/c1-3-31-15-12-23(13-16-31)34-22-10-8-21(9-11-22)33-19-20-6-4-5-7-24(20)29-28(32)26-18-27-25(30(26)2)14-17-35-27/h4-11,14,17-18,23H,3,12-13,15-16,19H2,1-2H3,(H,29,32)
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n/an/a 451n/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))
BDBM50236501
PNG
(CHEMBL4090396)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(OCC2CNC2)cc1
Show InChI InChI=1S/C25H25N3O3S/c1-28-22-10-11-32-24(22)12-23(28)25(29)27-21-5-3-2-4-18(21)16-31-20-8-6-19(7-9-20)30-15-17-13-26-14-17/h2-12,17,26H,13-16H2,1H3,(H,27,29)
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n/an/a 618n/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))
BDBM50236505
PNG
(CHEMBL4069361)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(OC2CCCNC2)cc1
Show InChI InChI=1S/C26H27N3O3S/c1-29-23-12-14-33-25(23)15-24(29)26(30)28-22-7-3-2-5-18(22)17-31-19-8-10-20(11-9-19)32-21-6-4-13-27-16-21/h2-3,5,7-12,14-15,21,27H,4,6,13,16-17H2,1H3,(H,28,30)
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n/an/a 674n/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))
BDBM50236401
PNG
(CHEMBL4066260)
Show SMILES Cc1nc([nH]c(=O)c1C)-n1nc(cc1NC(=O)COc1ccccc1F)-c1cccs1
Show InChI InChI=1S/C21H18FN5O3S/c1-12-13(2)23-21(25-20(12)29)27-18(10-15(26-27)17-8-5-9-31-17)24-19(28)11-30-16-7-4-3-6-14(16)22/h3-10H,11H2,1-2H3,(H,24,28)(H,23,25,29)
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n/an/a 760n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- 5-HT binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells


J Med Chem 60: 1673-1692 (2017)

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


(Homo sapiens (Human))
BDBM50236502
PNG
(CHEMBL4063458)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(OC2CCNC2)cc1
Show InChI InChI=1S/C25H25N3O3S/c1-28-22-11-13-32-24(22)14-23(28)25(29)27-21-5-3-2-4-17(21)16-30-18-6-8-19(9-7-18)31-20-10-12-26-15-20/h2-9,11,13-14,20,26H,10,12,15-16H2,1H3,(H,27,29)
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n/an/a 804n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at striatal nerve endings by dopamine transporter


J Med Chem 60: 1693-1715 (2017)

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


(Homo sapiens (Human))
BDBM50236454
PNG
(CHEMBL4105450)
Show SMILES CN1CCC(CC1)Oc1cccc(OCc2ccccc2NC(=O)c2cc3sccc3n2C)c1
Show InChI InChI=1S/C27H29N3O3S/c1-29-13-10-20(11-14-29)33-22-8-5-7-21(16-22)32-18-19-6-3-4-9-23(19)28-27(31)25-17-26-24(30(25)2)12-15-34-26/h3-9,12,15-17,20H,10-11,13-14,18H2,1-2H3,(H,28,31)
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n/an/a 1.00E+3n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at striatal nerve endings by dopamine transporter


J Med Chem 60: 1693-1715 (2017)

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


(Homo sapiens (Human))
BDBM50236507
PNG
(CHEMBL4091316)
Show SMILES CNCCCOc1ccc(OCc2ccccc2NC(=O)c2cc3sccc3n2C)cc1
Show InChI InChI=1S/C25H27N3O3S/c1-26-13-5-14-30-19-8-10-20(11-9-19)31-17-18-6-3-4-7-21(18)27-25(29)23-16-24-22(28(23)2)12-15-32-24/h3-4,6-12,15-16,26H,5,13-14,17H2,1-2H3,(H,27,29)
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n/an/a 1.30E+3n/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))
BDBM50236448
PNG
(CHEMBL4101114)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C25H26N4O2S/c1-28-22-10-15-32-24(22)16-23(28)25(30)27-21-5-3-2-4-18(21)17-31-20-8-6-19(7-9-20)29-13-11-26-12-14-29/h2-10,15-16,26H,11-14,17H2,1H3,(H,27,30)
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n/an/a 1.50E+3n/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))
BDBM50236449
PNG
(CHEMBL4074371)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1OCC1CCN(CC2CCNCC2)CC1
Show InChI InChI=1S/C26H34N4O2S/c1-29-22-10-15-33-25(22)16-23(29)26(31)28-21-4-2-3-5-24(21)32-18-20-8-13-30(14-9-20)17-19-6-11-27-12-7-19/h2-5,10,15-16,19-20,27H,6-9,11-14,17-18H2,1H3,(H,28,31)
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n/an/a 1.70E+3n/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))
BDBM50236450
PNG
(CHEMBL4092252)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1C(=O)Nc1ccc(OC2CCNCC2)cc1
Show InChI InChI=1S/C26H26N4O3S/c1-30-22-12-15-34-24(22)16-23(30)26(32)29-21-5-3-2-4-20(21)25(31)28-17-6-8-18(9-7-17)33-19-10-13-27-14-11-19/h2-9,12,15-16,19,27H,10-11,13-14H2,1H3,(H,28,31)(H,29,32)
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n/an/a 2.20E+3n/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))
BDBM50236403
PNG
(CHEMBL4097156)
Show SMILES CN1CCC(COc2cccc(NC(=O)c3cc4sccc4n3C)c2)CC1
Show InChI InChI=1S/C21H25N3O2S/c1-23-9-6-15(7-10-23)14-26-17-5-3-4-16(12-17)22-21(25)19-13-20-18(24(19)2)8-11-27-20/h3-5,8,11-13,15H,6-7,9-10,14H2,1-2H3,(H,22,25)
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n/an/a 2.20E+3n/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
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50236510
PNG
(CHEMBL4071459)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(NC2CCNCC2)cc1
Show InChI InChI=1S/C26H28N4O2S/c1-30-23-12-15-33-25(23)16-24(30)26(31)29-22-5-3-2-4-18(22)17-32-21-8-6-19(7-9-21)28-20-10-13-27-14-11-20/h2-9,12,15-16,20,27-28H,10-11,13-14,17H2,1H3,(H,29,31)
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n/an/a 2.50E+3n/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))
BDBM50236442
PNG
(CHEMBL4061953)
Show SMILES CN1CCC(CC1)Oc1ccc(OCc2ccc(NC(=O)c3cc4sccc4n3C)cc2)cc1
Show InChI InChI=1S/C27H29N3O3S/c1-29-14-11-23(12-15-29)33-22-9-7-21(8-10-22)32-18-19-3-5-20(6-4-19)28-27(31)25-17-26-24(30(25)2)13-16-34-26/h3-10,13,16-17,23H,11-12,14-15,18H2,1-2H3,(H,28,31)
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n/an/a 2.50E+3n/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))
BDBM50236360
PNG
(CHEMBL4066708)
Show SMILES COCc1cccc(NC(=O)c2cc3sccc3n2C)c1
Show InChI InChI=1S/C16H16N2O2S/c1-18-13-6-7-21-15(13)9-14(18)16(19)17-12-5-3-4-11(8-12)10-20-2/h3-9H,10H2,1-2H3,(H,17,19)
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n/an/a 2.90E+3n/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 1...


J Med Chem 60: 1673-1692 (2017)

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


(Homo sapiens (Human))
BDBM50236500
PNG
(CHEMBL4100005)
Show SMILES CN1CCN(Cc2ccc(OCc3ccccc3NC(=O)c3cc4sccc4n3C)cc2)CC1
Show InChI InChI=1S/C27H30N4O2S/c1-29-12-14-31(15-13-29)18-20-7-9-22(10-8-20)33-19-21-5-3-4-6-23(21)28-27(32)25-17-26-24(30(25)2)11-16-34-26/h3-11,16-17H,12-15,18-19H2,1-2H3,(H,28,32)
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n/an/a 2.90E+3n/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))
BDBM50236464
PNG
(CHEMBL4072081)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(CNC(N)=N)cc1
Show InChI InChI=1S/C23H23N5O2S/c1-28-19-10-11-31-21(19)12-20(28)22(29)27-18-5-3-2-4-16(18)14-30-17-8-6-15(7-9-17)13-26-23(24)25/h2-12H,13-14H2,1H3,(H,27,29)(H4,24,25,26)
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n/an/a 3.20E+3n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at striatal nerve endings by serotonin transporter


J Med Chem 60: 1693-1715 (2017)

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


(Homo sapiens (Human))
BDBM50236400
PNG
(CHEMBL4104004)
Show SMILES Cc1oc(cc1C(=O)Nc1ccccc1)-c1ccc(Cl)cc1[N+]([O-])=O
Show InChI InChI=1S/C18H13ClN2O4/c1-11-15(18(22)20-13-5-3-2-4-6-13)10-17(25-11)14-8-7-12(19)9-16(14)21(23)24/h2-10H,1H3,(H,20,22)
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n/an/a 3.50E+3n/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 1...


J Med Chem 60: 1673-1692 (2017)

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


(Homo sapiens (Human))
BDBM50236359
PNG
(CHEMBL4086085)
Show SMILES CC(=O)c1ccc(CN2CCC3(C2)CCNCC3)cc1
Show InChI InChI=1S/C17H24N2O/c1-14(20)16-4-2-15(3-5-16)12-19-11-8-17(13-19)6-9-18-10-7-17/h2-5,18H,6-13H2,1H3
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n/an/a 5.00E+3n/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 1...


J Med Chem 60: 1673-1692 (2017)

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


(Homo sapiens (Human))
BDBM50236386
PNG
(CHEMBL4069834)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1cccc(OCc2ccncc2)c1
Show InChI InChI=1S/C20H17N3O2S/c1-23-17-7-10-26-19(17)12-18(23)20(24)22-15-3-2-4-16(11-15)25-13-14-5-8-21-9-6-14/h2-12H,13H2,1H3,(H,22,24)
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n/an/a 5.80E+3n/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))
BDBM50236386
PNG
(CHEMBL4069834)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1cccc(OCc2ccncc2)c1
Show InChI InChI=1S/C20H17N3O2S/c1-23-17-7-10-26-19(17)12-18(23)20(24)22-15-3-2-4-16(11-15)25-13-14-5-8-21-9-6-14/h2-12H,13H2,1H3,(H,22,24)
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n/an/a 7.20E+3n/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
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50236437
PNG
(CHEMBL4074536)
Show SMILES CSCc1cccc(NC(=O)c2cc3sccc3n2C)c1
Show InChI InChI=1S/C16H16N2OS2/c1-18-13-6-7-21-15(13)9-14(18)16(19)17-12-5-3-4-11(8-12)10-20-2/h3-9H,10H2,1-2H3,(H,17,19)
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n/an/a 7.40E+3n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- 5-HT binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells


J Med Chem 60: 1673-1692 (2017)

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


(Homo sapiens (Human))
BDBM50236359
PNG
(CHEMBL4086085)
Show SMILES CC(=O)c1ccc(CN2CCC3(C2)CCNCC3)cc1
Show InChI InChI=1S/C17H24N2O/c1-14(20)16-4-2-15(3-5-16)12-19-11-8-17(13-19)6-9-18-10-7-17/h2-5,18H,6-13H2,1H3
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n/an/a 8.10E+3n/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
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50240772
PNG
((1R,2S)-(-)-2-phenylcyclopropylamine | (1R,2S)-2-p...)
Show SMILES N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1
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n/an/a 8.80E+3n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1d adrenergic receptor


J Med Chem 60: 1673-1692 (2017)

More data for this
Ligand-Target Pair
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