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Compile Data Set for Download or QSAR

Found 60 hits Enz. Inhib. hit(s) with all data for entry = 50046936   
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))
BDBM50142238
PNG
(CHEMBL3759201)
Show SMILES Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H25N3O/c1-18-2-6-22(7-3-18)25-24(21-8-4-19(15-26)5-9-21)14-23(16-28-25)29-17-20-10-12-27-13-11-20/h2-9,14,16,20,27H,10-13,17H2,1H3
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29n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50142187
PNG
(CHEMBL3758634)
Show SMILES FC(F)(F)Oc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H22F3N3O2/c26-25(27,28)33-21-7-5-20(6-8-21)24-23(19-3-1-17(14-29)2-4-19)13-22(15-31-24)32-16-18-9-11-30-12-10-18/h1-8,13,15,18,30H,9-12,16H2
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46n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50142237
PNG
(CHEMBL3759797)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H22F3N3O/c26-25(27,28)21-7-5-20(6-8-21)24-23(19-3-1-17(14-29)2-4-19)13-22(15-31-24)32-16-18-9-11-30-12-10-18/h1-8,13,15,18,30H,9-12,16H2
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58n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50142242
PNG
(CHEMBL3759102)
Show SMILES CC(C)c1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C27H29N3O/c1-19(2)22-7-9-24(10-8-22)27-26(23-5-3-20(16-28)4-6-23)15-25(17-30-27)31-18-21-11-13-29-14-12-21/h3-10,15,17,19,21,29H,11-14,18H2,1-2H3
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88n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50139118
PNG
(CHEMBL3759351)
Show SMILES Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C25H24FN3O/c1-17-2-4-19(5-3-17)25-23(20-6-7-21(14-27)24(26)12-20)13-22(15-29-25)30-16-18-8-10-28-11-9-18/h2-7,12-13,15,18,28H,8-11,16H2,1H3
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150n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50142240
PNG
(CHEMBL3759861)
Show SMILES CCc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C26H27N3O/c1-2-19-3-9-23(10-4-19)26-25(22-7-5-20(16-27)6-8-22)15-24(17-29-26)30-18-21-11-13-28-14-12-21/h3-10,15,17,21,28H,2,11-14,18H2,1H3
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200n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50142249
PNG
(CHEMBL3759939)
Show SMILES Fc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H22FN3O/c25-21-7-5-20(6-8-21)24-23(19-3-1-17(14-26)2-4-19)13-22(15-28-24)29-16-18-9-11-27-12-10-18/h1-8,13,15,18,27H,9-12,16H2
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220n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50139119
PNG
(CHEMBL3758849)
Show SMILES Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1F)C#N
Show InChI InChI=1S/C25H24FN3O/c1-17-2-5-20(6-3-17)25-23(22-7-4-19(14-27)12-24(22)26)13-21(15-29-25)30-16-18-8-10-28-11-9-18/h2-7,12-13,15,18,28H,8-11,16H2,1H3
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220n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50142079
PNG
(CHEMBL3758636)
Show SMILES Cc1ccc(cn1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H24N4O/c1-17-2-5-21(14-27-17)24-23(20-6-3-18(13-25)4-7-20)12-22(15-28-24)29-16-19-8-10-26-11-9-19/h2-7,12,14-15,19,26H,8-11,16H2,1H3
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380n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50142086
PNG
(CHEMBL3758396)
Show SMILES Brc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H21BrN4O/c24-20-7-5-18(6-8-20)22-23(19-3-1-16(13-25)2-4-19)28-21(14-27-22)29-15-17-9-11-26-12-10-17/h1-8,14,17,26H,9-12,15H2
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540n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50142235
PNG
(CHEMBL3758821)
Show SMILES Fc1ccc(cc1F)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H21F2N3O/c25-22-6-5-19(11-23(22)26)24-21(18-3-1-16(13-27)2-4-18)12-20(14-29-24)30-15-17-7-9-28-10-8-17/h1-6,11-12,14,17,28H,7-10,15H2
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570n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50142243
PNG
(CHEMBL3758340)
Show SMILES Cc1ccc(cc1)-c1ncc(OCC2CCCNC2)cc1-c1ccc(cc1)C#N
Show InChI InChI=1/C25H25N3O/c1-18-4-8-22(9-5-18)25-24(21-10-6-19(14-26)7-11-21)13-23(16-28-25)29-17-20-3-2-12-27-15-20/h4-11,13,16,20,27H,2-3,12,15,17H2,1H3
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650n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50142185
PNG
(CHEMBL3759654)
Show SMILES COc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H25N3O2/c1-29-22-8-6-21(7-9-22)25-24(20-4-2-18(15-26)3-5-20)14-23(16-28-25)30-17-19-10-12-27-13-11-19/h2-9,14,16,19,27H,10-13,17H2,1H3
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740n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50142239
PNG
(CHEMBL3760120)
Show SMILES Cc1cccc(c1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H25N3O/c1-18-3-2-4-22(13-18)25-24(21-7-5-19(15-26)6-8-21)14-23(16-28-25)29-17-20-9-11-27-12-10-20/h2-8,13-14,16,20,27H,9-12,17H2,1H3
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800n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50142236
PNG
(CHEMBL3760085)
Show SMILES Fc1ccc(c(F)c1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H21F2N3O/c25-19-5-6-21(23(26)11-19)24-22(18-3-1-16(13-27)2-4-18)12-20(14-29-24)30-15-17-7-9-28-10-8-17/h1-6,11-12,14,17,28H,7-10,15H2
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1.20E+3n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50142186
PNG
(CHEMBL3760091)
Show SMILES Cc1ccc(cc1)-c1ncc(NCC2CCCNC2)cc1-c1ccc(cc1)C#N
Show InChI InChI=1/C25H26N4/c1-18-4-8-22(9-5-18)25-24(21-10-6-19(14-26)7-11-21)13-23(17-29-25)28-16-20-3-2-12-27-15-20/h4-11,13,17,20,27-28H,2-3,12,15-16H2,1H3
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1.20E+3n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50142077
PNG
(CHEMBL3759070)
Show SMILES Fc1ccc(cn1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H21FN4O/c24-22-6-5-19(13-27-22)23-21(18-3-1-16(12-25)2-4-18)11-20(14-28-23)29-15-17-7-9-26-10-8-17/h1-6,11,13-14,17,26H,7-10,15H2
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1.80E+3n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50142080
PNG
(CHEMBL3758211)
Show SMILES N#Cc1ccc(cc1)-c1cc(OCC2CCNCC2)cnc1-c1ccccc1
Show InChI InChI=1S/C24H23N3O/c25-15-18-6-8-20(9-7-18)23-14-22(28-17-19-10-12-26-13-11-19)16-27-24(23)21-4-2-1-3-5-21/h1-9,14,16,19,26H,10-13,17H2
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1.80E+3n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using 2 to 100 uM dimethylated H3K4 peptide substr...


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50142080
PNG
(CHEMBL3758211)
Show SMILES N#Cc1ccc(cc1)-c1cc(OCC2CCNCC2)cnc1-c1ccccc1
Show InChI InChI=1S/C24H23N3O/c25-15-18-6-8-20(9-7-18)23-14-22(28-17-19-10-12-26-13-11-19)16-27-24(23)21-4-2-1-3-5-21/h1-9,14,16,19,26H,10-13,17H2
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2.30E+3n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50140245
PNG
(CHEMBL3759574)
Show SMILES N#Cc1ccc(cc1)-c1cc(OCC2CCNCC2)cnc1-c1ccsc1
Show InChI InChI=1S/C22H21N3OS/c23-12-16-1-3-18(4-2-16)21-11-20(26-14-17-5-8-24-9-6-17)13-25-22(21)19-7-10-27-15-19/h1-4,7,10-11,13,15,17,24H,5-6,8-9,14H2
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2.40E+3n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50142187
PNG
(CHEMBL3758634)
Show SMILES FC(F)(F)Oc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H22F3N3O2/c26-25(27,28)33-21-7-5-20(6-8-21)24-23(19-3-1-17(14-29)2-4-19)13-22(15-31-24)32-16-18-9-11-30-12-10-18/h1-8,13,15,18,30H,9-12,16H2
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2.60E+3n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B after 60 mins MAO-glo assay


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50142075
PNG
(CHEMBL3758747)
Show SMILES N#Cc1ccc(cc1)-c1cc(OCC2CCNCC2)cnc1-c1cccnc1
Show InChI InChI=1S/C23H22N4O/c24-13-17-3-5-19(6-4-17)22-12-21(28-16-18-7-10-25-11-8-18)15-27-23(22)20-2-1-9-26-14-20/h1-6,9,12,14-15,18,25H,7-8,10-11,16H2
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3.20E+3n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50142248
PNG
(CHEMBL3759283)
Show SMILES N#Cc1ccc(cc1)-c1cc(OCC2CCNCC2)cnc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H22N4O/c26-14-18-1-5-21(6-2-18)24-13-23(30-17-20-9-11-28-12-10-20)16-29-25(24)22-7-3-19(15-27)4-8-22/h1-8,13,16,20,28H,9-12,17H2
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4.00E+3n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50142241
PNG
(CHEMBL3759645)
Show SMILES Cc1ccc(cc1)-c1ccc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C26H26N2O/c1-19-2-6-22(7-3-19)25-11-10-24(29-18-21-12-14-28-15-13-21)16-26(25)23-8-4-20(17-27)5-9-23/h2-11,16,21,28H,12-15,18H2,1H3
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4.90E+3n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50142188
PNG
(CHEMBL3759472)
Show SMILES N#Cc1ccc(cc1)-c1cc(OCC2CCNCC2)cnc1-c1ccncc1
Show InChI InChI=1S/C23H22N4O/c24-14-17-1-3-19(4-2-17)22-13-21(28-16-18-5-9-25-10-6-18)15-27-23(22)20-7-11-26-12-8-20/h1-4,7-8,11-13,15,18,25H,5-6,9-10,16H2
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5.00E+3n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50139120
PNG
(CHEMBL3759088)
Show SMILES Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(CN2CCNCC2)cc1
Show InChI InChI=1S/C29H36N4O/c1-22-2-6-26(7-3-22)29-28(18-27(19-32-29)34-21-24-10-12-30-13-11-24)25-8-4-23(5-9-25)20-33-16-14-31-15-17-33/h2-9,18-19,24,30-31H,10-17,20-21H2,1H3
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7.60E+3n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50142084
PNG
(CHEMBL3758284)
Show SMILES N#Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H21N5O/c25-13-17-1-5-20(6-2-17)23-24(21-7-3-18(14-26)4-8-21)29-22(15-28-23)30-16-19-9-11-27-12-10-19/h1-8,15,19,27H,9-12,16H2
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9.10E+3n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50142237
PNG
(CHEMBL3759797)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H22F3N3O/c26-25(27,28)21-7-5-20(6-8-21)24-23(19-3-1-17(14-29)2-4-19)13-22(15-31-24)32-16-18-9-11-30-12-10-18/h1-8,13,15,18,30H,9-12,16H2
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9.70E+3n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B after 60 mins MAO-glo assay


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50142080
PNG
(CHEMBL3758211)
Show SMILES N#Cc1ccc(cc1)-c1cc(OCC2CCNCC2)cnc1-c1ccccc1
Show InChI InChI=1S/C24H23N3O/c25-15-18-6-8-20(9-7-18)23-14-22(28-17-19-10-12-26-13-11-19)16-27-24(23)21-4-2-1-3-5-21/h1-9,14,16,19,26H,10-13,17H2
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1.06E+4n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B after 60 mins MAO-glo assay


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50142245
PNG
(CHEMBL3758933)
Show SMILES Brc1ccc(cc1)-c1nc(OCC2CCNCC2)cnc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H21BrN4O/c24-20-7-5-19(6-8-20)23-22(18-3-1-16(13-25)2-4-18)27-14-21(28-23)29-15-17-9-11-26-12-10-17/h1-8,14,17,26H,9-12,15H2
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1.65E+4n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50142238
PNG
(CHEMBL3759201)
Show SMILES Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H25N3O/c1-18-2-6-22(7-3-18)25-24(21-8-4-19(15-26)5-9-21)14-23(16-28-25)29-17-20-10-12-27-13-11-20/h2-9,14,16,20,27H,10-13,17H2,1H3
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1.87E+4n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B after 60 mins MAO-glo assay


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50142234
PNG
(CHEMBL3758402)
Show SMILES CCNCc1ccc(cc1)-c1cc(OCC2CCNCC2)cnc1-c1ccc(C)cc1
Show InChI InChI=1S/C27H33N3O/c1-3-28-17-21-6-10-23(11-7-21)26-16-25(31-19-22-12-14-29-15-13-22)18-30-27(26)24-8-4-20(2)5-9-24/h4-11,16,18,22,28-29H,3,12-15,17,19H2,1-2H3
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2.23E+4n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50142083
PNG
(CHEMBL3758664)
Show SMILES Brc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(Br)cc1
Show InChI InChI=1S/C22H21Br2N3O/c23-18-5-1-16(2-6-18)21-22(17-3-7-19(24)8-4-17)27-20(13-26-21)28-14-15-9-11-25-12-10-15/h1-8,13,15,25H,9-12,14H2
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2.62E+4n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50142082
PNG
(CHEMBL3758833)
Show SMILES Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(C)cc1
Show InChI InChI=1S/C24H27N3O/c1-17-3-7-20(8-4-17)23-24(21-9-5-18(2)6-10-21)27-22(15-26-23)28-16-19-11-13-25-14-12-19/h3-10,15,19,25H,11-14,16H2,1-2H3
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3.22E+4n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50139121
PNG
(CHEMBL3759462)
Show SMILES Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C29H35N3O2/c1-22-2-6-26(7-3-22)29-28(18-27(19-31-29)34-21-24-10-12-30-13-11-24)25-8-4-23(5-9-25)20-32-14-16-33-17-15-32/h2-9,18-19,24,30H,10-17,20-21H2,1H3
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4.38E+4n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50142078
PNG
(CHEMBL3759840)
Show SMILES C(Oc1cnc(-c2ccccc2)c(n1)-c1ccccc1)C1CCNCC1
Show InChI InChI=1S/C22H23N3O/c1-3-7-18(8-4-1)21-22(19-9-5-2-6-10-19)25-20(15-24-21)26-16-17-11-13-23-14-12-17/h1-10,15,17,23H,11-14,16H2
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4.78E+4n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50142237
PNG
(CHEMBL3759797)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H22F3N3O/c26-25(27,28)21-7-5-20(6-8-21)24-23(19-3-1-17(14-29)2-4-19)13-22(15-31-24)32-16-18-9-11-30-12-10-18/h1-8,13,15,18,30H,9-12,16H2
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>5.00E+4n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A after 60 mins MAO-glo assay


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50142238
PNG
(CHEMBL3759201)
Show SMILES Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H25N3O/c1-18-2-6-22(7-3-18)25-24(21-8-4-19(15-26)5-9-21)14-23(16-28-25)29-17-20-10-12-27-13-11-20/h2-9,14,16,20,27H,10-13,17H2,1H3
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>5.00E+4n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A after 60 mins MAO-glo assay


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50142187
PNG
(CHEMBL3758634)
Show SMILES FC(F)(F)Oc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H22F3N3O2/c26-25(27,28)33-21-7-5-20(6-8-21)24-23(19-3-1-17(14-29)2-4-19)13-22(15-31-24)32-16-18-9-11-30-12-10-18/h1-8,13,15,18,30H,9-12,16H2
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>5.00E+4n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A after 60 mins MAO-glo assay


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50142247
PNG
(CHEMBL3759745)
Show SMILES C(Oc1cnc(-c2ccccc2)c(c1)-c1ccccc1)C1CCNCC1
Show InChI InChI=1S/C23H24N2O/c1-3-7-19(8-4-1)22-15-21(26-17-18-11-13-24-14-12-18)16-25-23(22)20-9-5-2-6-10-20/h1-10,15-16,18,24H,11-14,17H2
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>5.00E+4n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50142080
PNG
(CHEMBL3758211)
Show SMILES N#Cc1ccc(cc1)-c1cc(OCC2CCNCC2)cnc1-c1ccccc1
Show InChI InChI=1S/C24H23N3O/c25-15-18-6-8-20(9-7-18)23-14-22(28-17-19-10-12-26-13-11-19)16-27-24(23)21-4-2-1-3-5-21/h1-9,14,16,19,26H,10-13,17H2
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Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A after 60 mins MAO-glo assay


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50142074
PNG
(CHEMBL3758342)
Show SMILES Cc1ccc(cc1)-c1ncc(OCc2ccccc2)cc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C26H20N2O/c1-19-7-11-23(12-8-19)26-25(22-13-9-20(16-27)10-14-22)15-24(17-28-26)29-18-21-5-3-2-4-6-21/h2-15,17H,18H2,1H3
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Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50142194
PNG
(CHEMBL3758505)
Show SMILES C(Oc1ccc(nc1)-c1ccccc1)C1CCNCC1
Show InChI InChI=1S/C17H20N2O/c1-2-4-15(5-3-1)17-7-6-16(12-19-17)20-13-14-8-10-18-11-9-14/h1-7,12,14,18H,8-11,13H2
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Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50142195
PNG
(CHEMBL3759525)
Show SMILES Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C(=O)N1CCNCC1
Show InChI InChI=1S/C29H34N4O2/c1-21-2-4-24(5-3-21)28-27(18-26(19-32-28)35-20-22-10-12-30-13-11-22)23-6-8-25(9-7-23)29(34)33-16-14-31-15-17-33/h2-9,18-19,22,30-31H,10-17,20H2,1H3
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Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50142244
PNG
(CHEMBL3759628)
Show SMILES Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C30H35N3O2/c1-22-5-7-25(8-6-22)29-28(19-27(20-32-29)35-21-23-13-15-31-16-14-23)24-9-11-26(12-10-24)30(34)33-17-3-2-4-18-33/h5-12,19-20,23,31H,2-4,13-18,21H2,1H3
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Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50142085
PNG
(CHEMBL3760100)
Show SMILES Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C(=O)NC1CC1
Show InChI InChI=1S/C28H31N3O2/c1-19-2-4-22(5-3-19)27-26(16-25(17-30-27)33-18-20-12-14-29-15-13-20)21-6-8-23(9-7-21)28(32)31-24-10-11-24/h2-9,16-17,20,24,29H,10-15,18H2,1H3,(H,31,32)
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Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50142246
PNG
(CHEMBL3758296)
Show SMILES Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C29H33N3O3/c1-21-2-4-24(5-3-21)28-27(18-26(19-31-28)35-20-22-10-12-30-13-11-22)23-6-8-25(9-7-23)29(33)32-14-16-34-17-15-32/h2-9,18-19,22,30H,10-17,20H2,1H3
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Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50142081
PNG
(CHEMBL3758600)
Show SMILES Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#C
Show InChI InChI=1S/C26H26N2O/c1-3-20-6-10-22(11-7-20)25-16-24(29-18-21-12-14-27-15-13-21)17-28-26(25)23-8-4-19(2)5-9-23/h1,4-11,16-17,21,27H,12-15,18H2,2H3
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Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50142073
PNG
(CHEMBL3760089)
Show SMILES Cc1ccc(cc1)-c1ncc(O)cc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C19H14N2O/c1-13-2-6-16(7-3-13)19-18(10-17(22)12-21-19)15-8-4-14(11-20)5-9-15/h2-10,12,22H,1H3
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Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50140251
PNG
(CHEMBL3759614)
Show SMILES Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(CO)cc1
Show InChI InChI=1S/C25H28N2O2/c1-18-2-6-22(7-3-18)25-24(21-8-4-19(16-28)5-9-21)14-23(15-27-25)29-17-20-10-12-26-13-11-20/h2-9,14-15,20,26,28H,10-13,16-17H2,1H3
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Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
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