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Compile Data Set for Download or QSAR

Found 33 hits with Last Name = 'cera' and Initial = 'mr'   
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))
BDBM50540648
PNG
(CHEMBL4639944)
Show SMILES Cn1c(cc2sccc12)-c1nc(cn1CCCc1ccc(OC2CCNCC2)cc1)C1CCC1
Show InChI InChI=1S/C28H34N4OS/c1-31-25-13-17-34-27(25)18-26(31)28-30-24(21-5-2-6-21)19-32(28)16-3-4-20-7-9-22(10-8-20)33-23-11-14-29-15-12-23/h7-10,13,17-19,21,23,29H,2-6,11-12,14-16H2,1H3
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n/an/a 0.100n/an/an/an/an/an/a



European Institute of Oncology IRCCS

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay


ACS Med Chem Lett 11: 754-759 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50540643
PNG
(CHEMBL4639941)
Show SMILES CCCc1cn(CCCc2ccc(OC3CCCNCC3)cc2)c(n1)-c1cc2sccc2n1C
Show InChI InChI=1S/C28H36N4OS/c1-3-6-22-20-32(28(30-22)26-19-27-25(31(26)2)14-18-34-27)17-5-7-21-9-11-24(12-10-21)33-23-8-4-15-29-16-13-23/h9-12,14,18-20,23,29H,3-8,13,15-17H2,1-2H3
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n/an/a 0.130n/an/an/an/an/an/a



European Institute of Oncology IRCCS

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay


ACS Med Chem Lett 11: 754-759 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50540639
PNG
(CHEMBL4632810)
Show SMILES CCCc1cn(CCOc2ccc(OC3CCCNCC3)cc2)c(n1)-c1cc2sccc2n1C
Show InChI InChI=1S/C27H34N4O2S/c1-3-5-20-19-31(27(29-20)25-18-26-24(30(25)2)12-17-34-26)15-16-32-21-7-9-23(10-8-21)33-22-6-4-13-28-14-11-22/h7-10,12,17-19,22,28H,3-6,11,13-16H2,1-2H3
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n/an/a 0.130n/an/an/an/an/an/a



European Institute of Oncology IRCCS

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay


ACS Med Chem Lett 11: 754-759 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50540640
PNG
(CHEMBL4641768)
Show SMILES CCCc1cn(CCCc2ccc(OCC3CCNCC3)cc2)c(n1)-c1cc2sccc2n1C
Show InChI InChI=1S/C28H36N4OS/c1-3-5-23-19-32(28(30-23)26-18-27-25(31(26)2)13-17-34-27)16-4-6-21-7-9-24(10-8-21)33-20-22-11-14-29-15-12-22/h7-10,13,17-19,22,29H,3-6,11-12,14-16,20H2,1-2H3
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n/an/a 0.140n/an/an/an/an/an/a



European Institute of Oncology IRCCS

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay


ACS Med Chem Lett 11: 754-759 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50540649
PNG
(CHEMBL4642214)
Show SMILES Cn1c(cc2sccc12)-c1nc(cn1CCCc1ccc(OC2CCCNCC2)cc1)C1CCC1
Show InChI InChI=1S/C29H36N4OS/c1-32-26-14-18-35-28(26)19-27(32)29-31-25(22-6-2-7-22)20-33(29)17-4-5-21-9-11-24(12-10-21)34-23-8-3-15-30-16-13-23/h9-12,14,18-20,22-23,30H,2-8,13,15-17H2,1H3
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n/an/a 0.160n/an/an/an/an/an/a



European Institute of Oncology IRCCS

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay


ACS Med Chem Lett 11: 754-759 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50540655
PNG
(CHEMBL4635889)
Show SMILES CCc1cn(CCCc2ccc(OC3CCCNCC3)cc2)c(n1)-c1cc2sccc2n1C
Show InChI InChI=1S/C27H34N4OS/c1-3-21-19-31(27(29-21)25-18-26-24(30(25)2)13-17-33-26)16-5-6-20-8-10-23(11-9-20)32-22-7-4-14-28-15-12-22/h8-11,13,17-19,22,28H,3-7,12,14-16H2,1-2H3
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n/an/a 0.170n/an/an/an/an/an/a



European Institute of Oncology IRCCS

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay


ACS Med Chem Lett 11: 754-759 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50540642
PNG
(CHEMBL4649085)
Show SMILES CCCc1cn(CCCc2ccc(OC3CCNCC3)cc2)c(n1)-c1cc2sccc2n1C
Show InChI InChI=1S/C27H34N4OS/c1-3-5-21-19-31(27(29-21)25-18-26-24(30(25)2)13-17-33-26)16-4-6-20-7-9-22(10-8-20)32-23-11-14-28-15-12-23/h7-10,13,17-19,23,28H,3-6,11-12,14-16H2,1-2H3
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n/an/a 0.180n/an/an/an/an/an/a



European Institute of Oncology IRCCS

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay


ACS Med Chem Lett 11: 754-759 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50540644
PNG
(CHEMBL4639413)
Show SMILES Cn1c(cc2sccc12)-c1nc(cn1CCOc1ccc(OC2CCNCC2)cc1)C1CCC1
Show InChI InChI=1S/C27H32N4O2S/c1-30-24-11-16-34-26(24)17-25(30)27-29-23(19-3-2-4-19)18-31(27)14-15-32-20-5-7-21(8-6-20)33-22-9-12-28-13-10-22/h5-8,11,16-19,22,28H,2-4,9-10,12-15H2,1H3
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n/an/a 0.190n/an/an/an/an/an/a



European Institute of Oncology IRCCS

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay


ACS Med Chem Lett 11: 754-759 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50540638
PNG
(CHEMBL4649563)
Show SMILES CCCc1cn(CCOc2ccc(OC3CCNCC3)cc2)c(n1)-c1cc2sccc2n1C
Show InChI InChI=1S/C26H32N4O2S/c1-3-4-19-18-30(26(28-19)24-17-25-23(29(24)2)11-16-33-25)14-15-31-20-5-7-21(8-6-20)32-22-9-12-27-13-10-22/h5-8,11,16-18,22,27H,3-4,9-10,12-15H2,1-2H3
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n/an/a 0.200n/an/an/an/an/an/a



European Institute of Oncology IRCCS

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay


ACS Med Chem Lett 11: 754-759 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50540645
PNG
(CHEMBL4645937)
Show SMILES Cn1c(cc2sccc12)-c1nc(cn1CCOc1ccc(OC2CCCNCC2)cc1)C1CCC1
Show InChI InChI=1S/C28H34N4O2S/c1-31-25-12-17-35-27(25)18-26(31)28-30-24(20-4-2-5-20)19-32(28)15-16-33-21-7-9-23(10-8-21)34-22-6-3-13-29-14-11-22/h7-10,12,17-20,22,29H,2-6,11,13-16H2,1H3
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n/an/a 0.210n/an/an/an/an/an/a



European Institute of Oncology IRCCS

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay


ACS Med Chem Lett 11: 754-759 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50540646
PNG
(CHEMBL4634153)
Show SMILES Cn1c(cc2sccc12)-c1nc(cn1CCCc1ccc(OCC2CCNCC2)cc1)C1CCC1
Show InChI InChI=1S/C29H36N4OS/c1-32-26-13-17-35-28(26)18-27(32)29-31-25(23-5-2-6-23)19-33(29)16-3-4-21-7-9-24(10-8-21)34-20-22-11-14-30-15-12-22/h7-10,13,17-19,22-23,30H,2-6,11-12,14-16,20H2,1H3
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European Institute of Oncology IRCCS

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay


ACS Med Chem Lett 11: 754-759 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50540654
PNG
(CHEMBL4642738)
Show SMILES CCc1cn(CCCc2ccc(OC3CCNCC3)cc2)c(n1)-c1cc2sccc2n1C
Show InChI InChI=1S/C26H32N4OS/c1-3-20-18-30(26(28-20)24-17-25-23(29(24)2)12-16-32-25)15-4-5-19-6-8-21(9-7-19)31-22-10-13-27-14-11-22/h6-9,12,16-18,22,27H,3-5,10-11,13-15H2,1-2H3
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n/an/a 0.270n/an/an/an/an/an/a



European Institute of Oncology IRCCS

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay


ACS Med Chem Lett 11: 754-759 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50540653
PNG
(CHEMBL4637660)
Show SMILES CCc1cn(CCCc2ccc(OCC3CCNC3)cc2)c(n1)-c1cc2sccc2n1C
Show InChI InChI=1S/C26H32N4OS/c1-3-21-17-30(26(28-21)24-15-25-23(29(24)2)11-14-32-25)13-4-5-19-6-8-22(9-7-19)31-18-20-10-12-27-16-20/h6-9,11,14-15,17,20,27H,3-5,10,12-13,16,18H2,1-2H3
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n/an/a 0.280n/an/an/an/an/an/a



European Institute of Oncology IRCCS

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay


ACS Med Chem Lett 11: 754-759 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50540641
PNG
(CHEMBL4636234)
Show SMILES CCCc1cn(CCCc2ccc(OCC3CCNC3)cc2)c(n1)-c1cc2sccc2n1C
Show InChI InChI=1S/C27H34N4OS/c1-3-5-22-18-31(27(29-22)25-16-26-24(30(25)2)12-15-33-26)14-4-6-20-7-9-23(10-8-20)32-19-21-11-13-28-17-21/h7-10,12,15-16,18,21,28H,3-6,11,13-14,17,19H2,1-2H3
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n/an/a 0.300n/an/an/an/an/an/a



European Institute of Oncology IRCCS

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay


ACS Med Chem Lett 11: 754-759 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50540651
PNG
(CHEMBL4645131)
Show SMILES CCc1cn(CCOc2ccc(OC3CCCNCC3)cc2)c(n1)-c1cc2sccc2n1C
Show InChI InChI=1S/C26H32N4O2S/c1-3-19-18-30(26(28-19)24-17-25-23(29(24)2)11-16-33-25)14-15-31-20-6-8-22(9-7-20)32-21-5-4-12-27-13-10-21/h6-9,11,16-18,21,27H,3-5,10,12-15H2,1-2H3
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n/an/a 0.340n/an/an/an/an/an/a



European Institute of Oncology IRCCS

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay


ACS Med Chem Lett 11: 754-759 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50540652
PNG
(CHEMBL4638582)
Show SMILES CCc1cn(CCCc2ccc(OCC3CCNCC3)cc2)c(n1)-c1cc2sccc2n1C
Show InChI InChI=1S/C27H34N4OS/c1-3-22-18-31(27(29-22)25-17-26-24(30(25)2)12-16-33-26)15-4-5-20-6-8-23(9-7-20)32-19-21-10-13-28-14-11-21/h6-9,12,16-18,21,28H,3-5,10-11,13-15,19H2,1-2H3
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European Institute of Oncology IRCCS

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay


ACS Med Chem Lett 11: 754-759 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50540647
PNG
(CHEMBL4641915)
Show SMILES Cn1c(cc2sccc12)-c1nc(cn1CCCc1ccc(OCC2CCNC2)cc1)C1CCC1
Show InChI InChI=1S/C28H34N4OS/c1-31-25-12-15-34-27(25)16-26(31)28-30-24(22-5-2-6-22)18-32(28)14-3-4-20-7-9-23(10-8-20)33-19-21-11-13-29-17-21/h7-10,12,15-16,18,21-22,29H,2-6,11,13-14,17,19H2,1H3
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n/an/a 0.380n/an/an/an/an/an/a



European Institute of Oncology IRCCS

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay


ACS Med Chem Lett 11: 754-759 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50540650
PNG
(CHEMBL4640188)
Show SMILES CCc1cn(CCOc2ccc(OC3CCNCC3)cc2)c(n1)-c1cc2sccc2n1C
Show InChI InChI=1S/C25H30N4O2S/c1-3-18-17-29(25(27-18)23-16-24-22(28(23)2)10-15-32-24)13-14-30-19-4-6-20(7-5-19)31-21-8-11-26-12-9-21/h4-7,10,15-17,21,26H,3,8-9,11-14H2,1-2H3
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European Institute of Oncology IRCCS

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay


ACS Med Chem Lett 11: 754-759 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50540656
PNG
(CHEMBL4644376)
Show SMILES Cn1c(cc2sccc12)-c1nc(c[nH]1)C1CCC1
Show InChI InChI=1S/C14H15N3S/c1-17-11-5-6-18-13(11)7-12(17)14-15-8-10(16-14)9-3-2-4-9/h5-9H,2-4H2,1H3,(H,15,16)
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n/an/a 1.02E+3n/an/an/an/an/an/a



European Institute of Oncology IRCCS

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay


ACS Med Chem Lett 11: 754-759 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50540659
PNG
(CHEMBL4646883)
Show SMILES CCCc1c[nH]c(n1)-c1cc2sccc2n1C
Show InChI InChI=1S/C13H15N3S/c1-3-4-9-8-14-13(15-9)11-7-12-10(16(11)2)5-6-17-12/h5-8H,3-4H2,1-2H3,(H,14,15)
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n/an/a 1.50E+3n/an/an/an/an/an/a



European Institute of Oncology IRCCS

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay


ACS Med Chem Lett 11: 754-759 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50540637
PNG
(CHEMBL4647151)
Show SMILES CCc1cn(CCOc2ccccc2)c(n1)-c1cc2sccc2n1C
Show InChI InChI=1S/C20H21N3OS/c1-3-15-14-23(10-11-24-16-7-5-4-6-8-16)20(21-15)18-13-19-17(22(18)2)9-12-25-19/h4-9,12-14H,3,10-11H2,1-2H3
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n/an/a 1.85E+3n/an/an/an/an/an/a



European Institute of Oncology IRCCS

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay


ACS Med Chem Lett 11: 754-759 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50540657
PNG
(CHEMBL4642447)
Show SMILES Cn1c(cc2sccc12)-c1nc(c[nH]1)C1CC1
Show InChI InChI=1S/C13H13N3S/c1-16-10-4-5-17-12(10)6-11(16)13-14-7-9(15-13)8-2-3-8/h4-8H,2-3H2,1H3,(H,14,15)
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n/an/a 2.26E+3n/an/an/an/an/an/a



European Institute of Oncology IRCCS

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay


ACS Med Chem Lett 11: 754-759 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50540658
PNG
(CHEMBL4648160)
Show SMILES CC(C)c1c[nH]c(n1)-c1cc2sccc2n1C
Show InChI InChI=1S/C13H15N3S/c1-8(2)9-7-14-13(15-9)11-6-12-10(16(11)3)4-5-17-12/h4-8H,1-3H3,(H,14,15)
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n/an/a 2.29E+3n/an/an/an/an/an/a



European Institute of Oncology IRCCS

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay


ACS Med Chem Lett 11: 754-759 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50540660
PNG
(CHEMBL4644683)
Show SMILES CCc1c[nH]c(n1)-c1cc2sccc2n1C
Show InChI InChI=1S/C12H13N3S/c1-3-8-7-13-12(14-8)10-6-11-9(15(10)2)4-5-16-11/h4-7H,3H2,1-2H3,(H,13,14)
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n/an/a 5.00E+3n/an/an/an/an/an/a



European Institute of Oncology IRCCS

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay


ACS Med Chem Lett 11: 754-759 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50540636
PNG
(CHEMBL4647625)
Show SMILES CCc1cn(C)c(n1)-c1cc2sccc2n1C
Show InChI InChI=1S/C13H15N3S/c1-4-9-8-15(2)13(14-9)11-7-12-10(16(11)3)5-6-17-12/h5-8H,4H2,1-3H3
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n/an/a 1.97E+4n/an/an/an/an/an/a



European Institute of Oncology IRCCS

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay


ACS Med Chem Lett 11: 754-759 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50236398
PNG
(CHEMBL1503273)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C14H12N2OS/c1-16-11-7-8-18-13(11)9-12(16)14(17)15-10-5-3-2-4-6-10/h2-9H,1H3,(H,15,17)
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n/an/a 2.57E+4n/an/an/an/an/an/a



European Institute of Oncology IRCCS

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay


ACS Med Chem Lett 11: 754-759 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50540662
PNG
(CHEMBL4639754)
Show SMILES Cn1c(cc2sccc12)-c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C16H13N3S/c1-19-13-7-8-20-15(13)9-14(19)16-17-10-12(18-16)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
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n/an/a 3.04E+4n/an/an/an/an/an/a



European Institute of Oncology IRCCS

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay


ACS Med Chem Lett 11: 754-759 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50540663
PNG
(CHEMBL4646647)
Show SMILES Cn1c(cc2sccc12)-c1nnc([nH]1)-c1ccccc1
Show InChI InChI=1S/C15H12N4S/c1-19-11-7-8-20-13(11)9-12(19)15-16-14(17-18-15)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



European Institute of Oncology IRCCS

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay


ACS Med Chem Lett 11: 754-759 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50540664
PNG
(CHEMBL4643702)
Show SMILES Cn1c(cc2sccc12)-c1ncc(o1)-c1ccccc1
Show InChI InChI=1S/C16H12N2OS/c1-18-12-7-8-20-15(12)9-13(18)16-17-10-14(19-16)11-5-3-2-4-6-11/h2-10H,1H3
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European Institute of Oncology IRCCS

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay


ACS Med Chem Lett 11: 754-759 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50540665
PNG
(CHEMBL4647974)
Show SMILES Cn1c(cc2sccc12)-c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C15H11N3OS/c1-18-11-7-8-20-13(11)9-12(18)15-17-16-14(19-15)10-5-3-2-4-6-10/h2-9H,1H3
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European Institute of Oncology IRCCS

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay


ACS Med Chem Lett 11: 754-759 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50540666
PNG
(CHEMBL4641231)
Show SMILES Cn1c(cc2sccc12)C(=O)Cc1ccccc1
Show InChI InChI=1S/C15H13NOS/c1-16-12-7-8-18-15(12)10-13(16)14(17)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3
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European Institute of Oncology IRCCS

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay


ACS Med Chem Lett 11: 754-759 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50540667
PNG
(CHEMBL4639402)
Show SMILES Cn1c(NC(=O)c2ccccc2)cc2sccc12
Show InChI InChI=1S/C14H12N2OS/c1-16-11-7-8-18-12(11)9-13(16)15-14(17)10-5-3-2-4-6-10/h2-9H,1H3,(H,15,17)
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European Institute of Oncology IRCCS

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay


ACS Med Chem Lett 11: 754-759 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50540661
PNG
(CHEMBL4639446)
Show SMILES Cn1c(cc2sccc12)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C14H11N3S/c1-17-11-6-7-18-13(11)8-12(17)14-15-9-4-2-3-5-10(9)16-14/h2-8H,1H3,(H,15,16)
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European Institute of Oncology IRCCS

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay


ACS Med Chem Lett 11: 754-759 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN
More data for this
Ligand-Target Pair