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Compile Data Set for Download or QSAR

Found 333 hits with Last Name = 'barth' and Initial = 'j'   
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
S-adenosylmethionine decarboxylase proenzyme


(Rattus norvegicus)
BDBM50366942
PNG
(CHEMBL540135)
Show SMILES C[S+](C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C12H18N5O3S/c1-21(2)3-6-8(18)9(19)12(20-6)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18-19H,3H2,1-2H3,(H2,13,14,15)/q+1/t6-,8-,9-,12-/m1/s1
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2.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against S-adenosyl-L-methionine decarboxylase using liver from rat in presence of 1 mM putrescine


J Med Chem 25: 550-6 (1982)


BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme


(Rattus norvegicus)
BDBM50291721
PNG
((3-Amino-propyl)-[5-(6-amino-purin-9-yl)-3,4-dihyd...)
Show SMILES C[S+](CCCN)C[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C14H23N6O3S/c1-24(4-2-3-15)5-8-10(21)11(22)14(23-8)20-7-19-9-12(16)17-6-18-13(9)20/h6-8,10-11,14,21-22H,2-5,15H2,1H3,(H2,16,17,18)/q+1/t8-,10-,11-,14?,24?/m1/s1
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3.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells


J Med Chem 25: 550-6 (1982)


BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme


(Rattus norvegicus)
BDBM50366942
PNG
(CHEMBL540135)
Show SMILES C[S+](C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C12H18N5O3S/c1-21(2)3-6-8(18)9(19)12(20-6)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18-19H,3H2,1-2H3,(H2,13,14,15)/q+1/t6-,8-,9-,12-/m1/s1
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2.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against S-adenosyl-L-methionine decarboxylase using liver from rat in presence of 1 mM putrescine


J Med Chem 25: 550-6 (1982)


BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme


(Rattus norvegicus)
BDBM50291721
PNG
((3-Amino-propyl)-[5-(6-amino-purin-9-yl)-3,4-dihyd...)
Show SMILES C[S+](CCCN)C[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C14H23N6O3S/c1-24(4-2-3-15)5-8-10(21)11(22)14(23-8)20-7-19-9-12(16)17-6-18-13(9)20/h6-8,10-11,14,21-22H,2-5,15H2,1H3,(H2,16,17,18)/q+1/t8-,10-,11-,14?,24?/m1/s1
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4.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against S-adenosyl-L-methionine decarboxylase using liver from rat in absence of putrescine


J Med Chem 25: 550-6 (1982)


BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme


(Rattus norvegicus)
BDBM50367078
PNG
(CHEMBL610704)
Show SMILES NCCCNC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C13H21N7O3/c14-2-1-3-16-4-7-9(21)10(22)13(23-7)20-6-19-8-11(15)17-5-18-12(8)20/h5-7,9-10,13,16,21-22H,1-4,14H2,(H2,15,17,18)/t7-,9-,10-,13?/m1/s1
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5.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against S-adenosyl-L-methionine decarboxylase using liver from rat in presence of 1 mM putrescine


J Med Chem 25: 550-6 (1982)


BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme


(Rattus norvegicus)
BDBM28422
PNG
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1
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6.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells


J Med Chem 25: 550-6 (1982)


BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme


(Rattus norvegicus)
BDBM28441
PNG
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-{[(3-ami...)
Show SMILES CN(CCCN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H23N7O3/c1-20(4-2-3-15)5-8-10(22)11(23)14(24-8)21-7-19-9-12(16)17-6-18-13(9)21/h6-8,10-11,14,22-23H,2-5,15H2,1H3,(H2,16,17,18)/t8-,10-,11-,14-/m1/s1
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6.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells


J Med Chem 25: 550-6 (1982)


BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme


(Rattus norvegicus)
BDBM50367079
PNG
(CHEMBL610141)
Show SMILES NCCNC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C12H19N7O3/c13-1-2-15-3-6-8(20)9(21)12(22-6)19-5-18-7-10(14)16-4-17-11(7)19/h4-6,8-9,12,15,20-21H,1-3,13H2,(H2,14,16,17)/t6-,8-,9-,12?/m1/s1
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7.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells


J Med Chem 25: 550-6 (1982)


BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme


(Rattus norvegicus)
BDBM50367076
PNG
(CHEMBL611588)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6@H]-1-[#8]-[#6](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12 |r|
Show InChI InChI=1S/C11H16N8O3/c12-8-5-9(17-2-16-8)19(3-18-5)10-7(21)6(20)4(22-10)1-15-11(13)14/h2-4,6-7,10,20-21H,1H2,(H2,12,16,17)(H4,13,14,15)/t4-,6-,7-,10?/m1/s1
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8.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against S-adenosyl-L-methionine decarboxylase using liver from rat in presence of 1 mM putrescine


J Med Chem 25: 550-6 (1982)


BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme


(Rattus norvegicus)
BDBM50090850
PNG
((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)
Show SMILES NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C10H14N6O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1
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2.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells


J Med Chem 25: 550-6 (1982)


BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme


(Rattus norvegicus)
BDBM50367077
PNG
(CHEMBL611902)
Show SMILES CN(CCC#N)C[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C14H19N7O3/c1-20(4-2-3-15)5-8-10(22)11(23)14(24-8)21-7-19-9-12(16)17-6-18-13(9)21/h6-8,10-11,14,22-23H,2,4-5H2,1H3,(H2,16,17,18)/t8-,10-,11-,14?/m1/s1
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3.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against S-adenosyl-L-methionine decarboxylase using liver from rat in presence of 1 mM putrescine


J Med Chem 25: 550-6 (1982)


BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme


(Rattus norvegicus)
BDBM28422
PNG
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1
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3.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against S-adenosyl-L-methionine decarboxylase using liver from rat in absence of putrescine


J Med Chem 25: 550-6 (1982)


BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme


(Rattus norvegicus)
BDBM28441
PNG
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-{[(3-ami...)
Show SMILES CN(CCCN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H23N7O3/c1-20(4-2-3-15)5-8-10(22)11(23)14(24-8)21-7-19-9-12(16)17-6-18-13(9)21/h6-8,10-11,14,22-23H,2-5,15H2,1H3,(H2,16,17,18)/t8-,10-,11-,14-/m1/s1
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3.80E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against S-adenosyl-L-methionine decarboxylase using liver from rat in absence of putrescine


J Med Chem 25: 550-6 (1982)


BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme


(Rattus norvegicus)
BDBM50367079
PNG
(CHEMBL610141)
Show SMILES NCCNC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C12H19N7O3/c13-1-2-15-3-6-8(20)9(21)12(22-6)19-5-18-7-10(14)16-4-17-11(7)19/h4-6,8-9,12,15,20-21H,1-3,13H2,(H2,14,16,17)/t6-,8-,9-,12?/m1/s1
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5.40E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against S-adenosyl-L-methionine decarboxylase using liver from rat in absence of putrescine


J Med Chem 25: 550-6 (1982)


BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme


(Rattus norvegicus)
BDBM50367080
PNG
(CHEMBL610142)
Show SMILES CNCCCNC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C14H23N7O3/c1-16-3-2-4-17-5-8-10(22)11(23)14(24-8)21-7-20-9-12(15)18-6-19-13(9)21/h6-8,10-11,14,16-17,22-23H,2-5H2,1H3,(H2,15,18,19)/t8-,10-,11-,14?/m1/s1
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6.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against S-adenosyl-L-methionine decarboxylase using liver from rat in presence of 1 mM putrescine


J Med Chem 25: 550-6 (1982)


BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme


(Rattus norvegicus)
BDBM50367076
PNG
(CHEMBL611588)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6@H]-1-[#8]-[#6](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12 |r|
Show InChI InChI=1S/C11H16N8O3/c12-8-5-9(17-2-16-8)19(3-18-5)10-7(21)6(20)4(22-10)1-15-11(13)14/h2-4,6-7,10,20-21H,1H2,(H2,12,16,17)(H4,13,14,15)/t4-,6-,7-,10?/m1/s1
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1.00E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against S-adenosyl-L-methionine decarboxylase using liver from rat in presence of 1 mM putrescine


J Med Chem 25: 550-6 (1982)


BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme


(Rattus norvegicus)
BDBM50090850
PNG
((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)
Show SMILES NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C10H14N6O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1
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1.70E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against S-adenosyl-L-methionine decarboxylase using liver from rat in absence of putrescine


J Med Chem 25: 550-6 (1982)


BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme


(Rattus norvegicus)
BDBM50367077
PNG
(CHEMBL611902)
Show SMILES CN(CCC#N)C[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C14H19N7O3/c1-20(4-2-3-15)5-8-10(22)11(23)14(24-8)21-7-19-9-12(16)17-6-18-13(9)21/h6-8,10-11,14,22-23H,2,4-5H2,1H3,(H2,16,17,18)/t8-,10-,11-,14?/m1/s1
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2.80E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against S-adenosyl-L-methionine decarboxylase using liver from rat in absence of putrescine


J Med Chem 25: 550-6 (1982)


BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445346
PNG
(CHEMBL3104250)
Show SMILES CC(=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O |w:2.2|
Show InChI InChI=1S/C19H20ClN3O5S/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)
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Article
PubMed
n/an/a 13n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin)


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


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM254546
PNG
(US10214477, Example 3 | US9469597, 1 | US9670136, ...)
Show SMILES NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:10.12,wD:8.8,(6.06,2.69,;4.73,1.93,;4.73,.38,;3.4,-.38,;2.06,.38,;2.06,1.93,;3.4,2.69,;.73,-.38,;-.6,.38,;-1.37,1.72,;-2.14,.38,;-3.48,-.38,;-4.81,.38,;-6.14,-.38,;-6.14,-1.93,;-4.81,-2.69,;-3.48,-1.93,)|
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+/m1/s1
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University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin)


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


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM179446
PNG
(US9676701, 4 4′-((trans)-2-aminocyclopropyl)...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C15H15NO/c16-15-9-14(15)11-6-4-10(5-7-11)12-2-1-3-13(17)8-12/h1-8,14-15,17H,9,16H2/t14-,15+/m1/s1
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University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin)


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


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464691
PNG
(CHEMBL4285212)
Show SMILES [O-][N+](=O)c1cc(CN[C@H]2C[C@@H]2c2ccccc2)ccc1Cl |r|
Show InChI InChI=1S/C16H15ClN2O2/c17-14-7-6-11(8-16(14)19(20)21)10-18-15-9-13(15)12-4-2-1-3-5-12/h1-8,13,15,18H,9-10H2/t13-,15+/m1/s1
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University of Freiburg

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464665
PNG
(CHEMBL4292597)
Show SMILES C(N[C@H]1C[C@@H]1c1ccccc1)c1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C22H21N/c1-3-9-18(10-4-1)20-13-7-8-17(14-20)16-23-22-15-21(22)19-11-5-2-6-12-19/h1-14,21-23H,15-16H2/t21-,22+/m1/s1
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University of Freiburg

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464707
PNG
(CHEMBL4277281)
Show SMILES Cc1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1Cl |r|
Show InChI InChI=1S/C17H18ClN/c1-12-7-8-13(9-16(12)18)11-19-17-10-15(17)14-5-3-2-4-6-14/h2-9,15,17,19H,10-11H2,1H3/t15-,17+/m1/s1
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University of Freiburg

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464703
PNG
(CHEMBL4285166)
Show SMILES COc1ccccc1CN[C@H]1C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C17H19NO/c1-19-17-10-6-5-9-14(17)12-18-16-11-15(16)13-7-3-2-4-8-13/h2-10,15-16,18H,11-12H2,1H3/t15-,16+/m1/s1
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University of Freiburg

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464702
PNG
(CHEMBL4290752)
Show SMILES COc1ncccc1CN[C@H]1C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C16H18N2O/c1-19-16-13(8-5-9-17-16)11-18-15-10-14(15)12-6-3-2-4-7-12/h2-9,14-15,18H,10-11H2,1H3/t14-,15+/m1/s1
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University of Freiburg

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464709
PNG
(CHEMBL4287709)
Show SMILES C(N[C@H]1C[C@@H]1c1ccccc1)c1cccc(OCc2ccccc2)c1 |r|
Show InChI InChI=1S/C23H23NO/c1-3-8-18(9-4-1)17-25-21-13-7-10-19(14-21)16-24-23-15-22(23)20-11-5-2-6-12-20/h1-14,22-24H,15-17H2/t22-,23+/m1/s1
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University of Freiburg

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464694
PNG
(CHEMBL4292825)
Show SMILES Cn1c(CN[C@H]2C[C@@H]2c2ccccc2)cc2ccccc12 |r|
Show InChI InChI=1S/C19H20N2/c1-21-16(11-15-9-5-6-10-19(15)21)13-20-18-12-17(18)14-7-3-2-4-8-14/h2-11,17-18,20H,12-13H2,1H3/t17-,18+/m1/s1
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University of Freiburg

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101271
PNG
(US8524717, 26)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C23H29N3O2/c1-25-11-13-26(14-12-25)23(27)16-24-22-15-21(22)19-7-9-20(10-8-19)28-17-18-5-3-2-4-6-18/h2-10,21-22,24H,11-17H2,1H3/t21-,22+/m1/s1
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University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin)


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


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464698
PNG
(CHEMBL4289408)
Show SMILES Clc1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
Show InChI InChI=1S/C16H16ClN/c17-14-8-6-12(7-9-14)11-18-16-10-15(16)13-4-2-1-3-5-13/h1-9,15-16,18H,10-11H2/t15-,16+/m1/s1
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University of Freiburg

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464698
PNG
(CHEMBL4289408)
Show SMILES Clc1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
Show InChI InChI=1S/C16H16ClN/c17-14-8-6-12(7-9-14)11-18-16-10-15(16)13-4-2-1-3-5-13/h1-9,15-16,18H,10-11H2/t15-,16+/m1/s1
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University of Freiburg

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464678
PNG
(CHEMBL4278920)
Show SMILES Fc1cc(Br)ccc1CN[C@H]1C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C16H15BrFN/c17-13-7-6-12(15(18)8-13)10-19-16-9-14(16)11-4-2-1-3-5-11/h1-8,14,16,19H,9-10H2/t14-,16+/m1/s1
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University of Freiburg

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464693
PNG
(CHEMBL4284179)
Show SMILES Brc1ccc(COc2cccc(CN[C@H]3C[C@@H]3c3ccccc3)c2)cc1 |r|
Show InChI InChI=1S/C23H22BrNO/c24-20-11-9-17(10-12-20)16-26-21-8-4-5-18(13-21)15-25-23-14-22(23)19-6-2-1-3-7-19/h1-13,22-23,25H,14-16H2/t22-,23+/m1/s1
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University of Freiburg

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464710
PNG
(CHEMBL4279808)
Show SMILES Brc1ccc(COc2ccc(CN[C@H]3C[C@@H]3c3ccccc3)cc2)cc1 |r|
Show InChI InChI=1S/C23H22BrNO/c24-20-10-6-18(7-11-20)16-26-21-12-8-17(9-13-21)15-25-23-14-22(23)19-4-2-1-3-5-19/h1-13,22-23,25H,14-16H2/t22-,23+/m1/s1
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University of Freiburg

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464672
PNG
(CHEMBL4284293)
Show SMILES Cc1ccc(cc1)-c1ncc(OCC2CCNC2)cc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H23N3O/c1-17-2-6-21(7-3-17)24-23(20-8-4-18(13-25)5-9-20)12-22(15-27-24)28-16-19-10-11-26-14-19/h2-9,12,15,19,26H,10-11,14,16H2,1H3
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University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin)


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


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464714
PNG
(CHEMBL4291413)
Show SMILES CCC(=C(c1ccc(OCCN(C)C)cc1)c1ccc(cc1)C(=O)N(C)CCN(C)[C@H]1C[C@@H]1c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C40H47N3O2/c1-6-36(30-13-9-7-10-14-30)39(33-21-23-35(24-22-33)45-28-27-41(2)3)32-17-19-34(20-18-32)40(44)43(5)26-25-42(4)38-29-37(38)31-15-11-8-12-16-31/h7-24,37-38H,6,25-29H2,1-5H3/t37-,38+/m1/s1
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University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin)


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


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464695
PNG
(CHEMBL4287563)
Show SMILES NC(=O)c1cccc(CN[C@H]2C[C@@H]2c2ccccc2)c1 |r|
Show InChI InChI=1S/C17H18N2O/c18-17(20)14-8-4-5-12(9-14)11-19-16-10-15(16)13-6-2-1-3-7-13/h1-9,15-16,19H,10-11H2,(H2,18,20)/t15-,16+/m1/s1
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University of Freiburg

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464667
PNG
(CHEMBL4282845)
Show SMILES Ic1ccccc1CN[C@H]1C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C16H16IN/c17-15-9-5-4-8-13(15)11-18-16-10-14(16)12-6-2-1-3-7-12/h1-9,14,16,18H,10-11H2/t14-,16+/m1/s1
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University of Freiburg

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464685
PNG
(CHEMBL4285989)
Show SMILES Clc1ccc(CN[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
Show InChI InChI=1S/C16H16ClN/c17-14-8-6-12(7-9-14)11-18-16-10-15(16)13-4-2-1-3-5-13/h1-9,15-16,18H,10-11H2/t15-,16+/m0/s1
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University of Freiburg

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464676
PNG
(CHEMBL4294148)
Show SMILES Brc1ccccc1CN[C@H]1C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C16H16BrN/c17-15-9-5-4-8-13(15)11-18-16-10-14(16)12-6-2-1-3-7-12/h1-9,14,16,18H,10-11H2/t14-,16+/m1/s1
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n/an/a 96n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464702
PNG
(CHEMBL4290752)
Show SMILES COc1ncccc1CN[C@H]1C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C16H18N2O/c1-19-16-13(8-5-9-17-16)11-18-15-10-14(15)12-6-3-2-4-7-12/h2-9,14-15,18H,10-11H2,1H3/t14-,15+/m1/s1
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n/an/a 98n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin)


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


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464690
PNG
(CHEMBL4281778)
Show SMILES [O-][N+](=O)c1cccc(CN[C@H]2C[C@@H]2c2ccccc2)c1 |r|
Show InChI InChI=1S/C16H16N2O2/c19-18(20)14-8-4-5-12(9-14)11-17-16-10-15(16)13-6-2-1-3-7-13/h1-9,15-17H,10-11H2/t15-,16+/m1/s1
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University of Freiburg

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464675
PNG
(CHEMBL4288523)
Show SMILES COc1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
Show InChI InChI=1S/C17H19NO/c1-19-15-9-7-13(8-10-15)12-18-17-11-16(17)14-5-3-2-4-6-14/h2-10,16-18H,11-12H2,1H3/t16-,17+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464690
PNG
(CHEMBL4281778)
Show SMILES [O-][N+](=O)c1cccc(CN[C@H]2C[C@@H]2c2ccccc2)c1 |r|
Show InChI InChI=1S/C16H16N2O2/c19-18(20)14-8-4-5-12(9-14)11-17-16-10-15(16)13-6-2-1-3-7-13/h1-9,15-17H,10-11H2/t15-,16+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464668
PNG
(CHEMBL4285786)
Show SMILES Fc1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1F |r|
Show InChI InChI=1S/C16H15F2N/c17-14-7-6-11(8-15(14)18)10-19-16-9-13(16)12-4-2-1-3-5-12/h1-8,13,16,19H,9-10H2/t13-,16+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464684
PNG
(CHEMBL4278738)
Show SMILES Clc1ccccc1CN[C@H]1C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C16H16ClN/c17-15-9-5-4-8-13(15)11-18-16-10-14(16)12-6-2-1-3-7-12/h1-9,14,16,18H,10-11H2/t14-,16+/m1/s1
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n/an/a 104n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464680
PNG
(CHEMBL4294062)
Show SMILES Fc1cccc(CN[C@H]2C[C@@H]2c2ccccc2)c1 |r|
Show InChI InChI=1S/C16H16FN/c17-14-8-4-5-12(9-14)11-18-16-10-15(16)13-6-2-1-3-7-13/h1-9,15-16,18H,10-11H2/t15-,16+/m1/s1
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n/an/a 109n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464712
PNG
(CHEMBL4285695)
Show SMILES COc1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1OC |r|
Show InChI InChI=1S/C18H21NO2/c1-20-17-9-8-13(10-18(17)21-2)12-19-16-11-15(16)14-6-4-3-5-7-14/h3-10,15-16,19H,11-12H2,1-2H3/t15-,16+/m1/s1
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n/an/a 110n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464677
PNG
(CHEMBL4284077)
Show SMILES Brc1cccc(CN[C@H]2C[C@@H]2c2ccccc2)c1 |r|
Show InChI InChI=1S/C16H16BrN/c17-14-8-4-5-12(9-14)11-18-16-10-15(16)13-6-2-1-3-7-13/h1-9,15-16,18H,10-11H2/t15-,16+/m1/s1
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n/an/a 112n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50464708
PNG
(CHEMBL4289655)
Show SMILES [O-][N+](=O)c1cccc(CN[C@@H]2C[C@H]2c2ccccc2)c1 |r|
Show InChI InChI=1S/C16H16N2O2/c19-18(20)14-8-4-5-12(9-14)11-17-16-10-15(16)13-6-2-1-3-7-13/h1-9,15-17H,10-11H2/t15-,16+/m0/s1
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n/an/a 112n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
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