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PubMed code 24007511

Compile data set for download or QSAR
Found 10 hits of Enzyme Inhibition Constant Data   
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))
BDBM50440477
PNG
(CHEMBL2426053)
Show SMILES CN(CC#C)CC(O)COc1ccc2cc(Br)ccc2c1
Show InChI InChI=1S/C17H18BrNO2/c1-3-8-19(2)11-16(20)12-21-17-7-5-13-9-15(18)6-4-14(13)10-17/h1,4-7,9-10,16,20H,8,11-12H2,2H3
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PubMed
n/an/a 2.22E+4n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin) expressed in Sf9 cells using H3K4(me2) as substrate preincubated for 30 mins prior to substrate addition measured...


J Med Chem 56: 7334-42 (2013)


Article DOI: 10.1021/jm400792m
BindingDB Entry DOI: 10.7270/Q2V40WN1
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50440475
PNG
(CHEMBL2426048)
Show SMILES OC(CNCC#C)COc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H19NO2/c1-2-12-19-13-17(20)14-21-18-10-8-16(9-11-18)15-6-4-3-5-7-15/h1,3-11,17,19-20H,12-14H2
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n/an/a 3.40E+4n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin) expressed in Sf9 cells using H3K4(me2) as substrate preincubated for 30 mins prior to substrate addition measured...


J Med Chem 56: 7334-42 (2013)


Article DOI: 10.1021/jm400792m
BindingDB Entry DOI: 10.7270/Q2V40WN1
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50440475
PNG
(CHEMBL2426048)
Show SMILES OC(CNCC#C)COc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H19NO2/c1-2-12-19-13-17(20)14-21-18-10-8-16(9-11-18)15-6-4-3-5-7-15/h1,3-11,17,19-20H,12-14H2
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n/an/a 4.40E+4n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin) expressed in Sf9 cells using H3K4(me2) as substrate preincubated for 30 mins prior to substrate addition measured...


J Med Chem 56: 7334-42 (2013)


Article DOI: 10.1021/jm400792m
BindingDB Entry DOI: 10.7270/Q2V40WN1
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50440479
PNG
(CHEMBL2426051)
Show SMILES CN(CC#C)CC(O)COc1ccc2ccccc2c1
Show InChI InChI=1S/C17H19NO2/c1-3-10-18(2)12-16(19)13-20-17-9-8-14-6-4-5-7-15(14)11-17/h1,4-9,11,16,19H,10,12-13H2,2H3
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n/an/a 5.17E+4n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin) expressed in Sf9 cells using H3K4(me2) as substrate preincubated for 30 mins prior to substrate addition measured...


J Med Chem 56: 7334-42 (2013)


Article DOI: 10.1021/jm400792m
BindingDB Entry DOI: 10.7270/Q2V40WN1
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50440478
PNG
(CHEMBL2426052)
Show SMILES OC(CNCC#C)COc1ccc2ccccc2c1
Show InChI InChI=1S/C16H17NO2/c1-2-9-17-11-15(18)12-19-16-8-7-13-5-3-4-6-14(13)10-16/h1,3-8,10,15,17-18H,9,11-12H2
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n/an/a 9.22E+4n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin) expressed in Sf9 cells using H3K4(me2) as substrate preincubated for 30 mins prior to substrate addition measured...


J Med Chem 56: 7334-42 (2013)


Article DOI: 10.1021/jm400792m
BindingDB Entry DOI: 10.7270/Q2V40WN1
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50440480
PNG
(CHEMBL2426047)
Show SMILES CN(CCCOc1cccc(NC(=O)c2ccccc2)c1)CC#C
Show InChI InChI=1S/C20H22N2O2/c1-3-13-22(2)14-8-15-24-19-12-7-11-18(16-19)21-20(23)17-9-5-4-6-10-17/h1,4-7,9-12,16H,8,13-15H2,2H3,(H,21,23)
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n/an/a 9.31E+4n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin) expressed in Sf9 cells using H3K4(me2) as substrate preincubated for 30 mins prior to substrate addition measured...


J Med Chem 56: 7334-42 (2013)


Article DOI: 10.1021/jm400792m
BindingDB Entry DOI: 10.7270/Q2V40WN1
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50440476
PNG
(CHEMBL2426134)
Show SMILES OC(CNC1CC1)COc1ccc2cc(Br)ccc2c1
Show InChI InChI=1S/C16H18BrNO2/c17-13-3-1-12-8-16(6-2-11(12)7-13)20-10-15(19)9-18-14-4-5-14/h1-3,6-8,14-15,18-19H,4-5,9-10H2
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n/an/a 1.11E+5n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin) expressed in Sf9 cells using H3K4(me2) as substrate preincubated for 30 mins prior to substrate addition measured...


J Med Chem 56: 7334-42 (2013)


Article DOI: 10.1021/jm400792m
BindingDB Entry DOI: 10.7270/Q2V40WN1
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50440482
PNG
(CHEMBL2426041)
Show SMILES CC#CCNCCCC[C@H](NC(=O)c1ccccc1)C(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C21H30N2O3/c1-5-6-15-22-16-11-10-14-18(20(25)26-21(2,3)4)23-19(24)17-12-8-7-9-13-17/h7-9,12-13,18,22H,10-11,14-16H2,1-4H3,(H,23,24)/t18-/m0/s1
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n/an/a 1.32E+5n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin) expressed in Sf9 cells using H3K4(me2) as substrate preincubated for 30 mins prior to substrate addition measured...


J Med Chem 56: 7334-42 (2013)


Article DOI: 10.1021/jm400792m
BindingDB Entry DOI: 10.7270/Q2V40WN1
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50440483
PNG
(CHEMBL2426040)
Show SMILES CC(C)(C)OC(=O)[C@H](CCCCNCC#C)NC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C20H28N2O3/c1-5-14-21-15-10-9-13-17(19(24)25-20(2,3)4)22-18(23)16-11-7-6-8-12-16/h1,6-8,11-12,17,21H,9-10,13-15H2,2-4H3,(H,22,23)/t17-/m0/s1
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n/an/a 1.44E+5n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin) expressed in Sf9 cells using H3K4(me2) as substrate preincubated for 30 mins prior to substrate addition measured...


J Med Chem 56: 7334-42 (2013)


Article DOI: 10.1021/jm400792m
BindingDB Entry DOI: 10.7270/Q2V40WN1
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50440481
PNG
(CHEMBL2426046)
Show SMILES O=C(Nc1cccc(OCCCNCC#C)c1)c1ccccc1
Show InChI InChI=1S/C19H20N2O2/c1-2-12-20-13-7-14-23-18-11-6-10-17(15-18)21-19(22)16-8-4-3-5-9-16/h1,3-6,8-11,15,20H,7,12-14H2,(H,21,22)
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n/an/a 1.84E+5n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin) expressed in Sf9 cells using H3K4(me2) as substrate preincubated for 30 mins prior to substrate addition measured...


J Med Chem 56: 7334-42 (2013)


Article DOI: 10.1021/jm400792m
BindingDB Entry DOI: 10.7270/Q2V40WN1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%