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PubMed code 20568732

Compile data set for download or QSAR
Found 14 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))
BDBM50346585
PNG
(CHEMBL1795980 | S2101)
Show SMILES NC1CC1c1cc(F)cc(F)c1OCc1ccccc1
Show InChI InChI=1S/C16H15F2NO/c17-11-6-13(12-8-15(12)19)16(14(18)7-11)20-9-10-4-2-1-3-5-10/h1-7,12,15H,8-9,19H2
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n/an/a 990n/an/an/an/an/an/a



RIKEN Systems and Structural Biology Center



Assay Description
The kinetic inhibition parameters of LSD1 demethylase inhibition were obtained using the peroxidase-coupled reaction method.


Biochemistry 49: 6494-503 (2010)


Article DOI: 10.1021/bi100299r
BindingDB Entry DOI: 10.7270/Q2PK0DSZ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50346868
PNG
(CHEMBL1797645 | S2111)
Show SMILES CCc1cccc(COc2c(F)cc(F)cc2C2CC2N)c1
Show InChI InChI=1S/C18H19F2NO/c1-2-11-4-3-5-12(6-11)10-22-18-15(14-9-17(14)21)7-13(19)8-16(18)20/h3-8,14,17H,2,9-10,21H2,1H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



RIKEN Systems and Structural Biology Center



Assay Description
The kinetic inhibition parameters of LSD1 demethylase inhibition were obtained using the peroxidase-coupled reaction method.


Biochemistry 49: 6494-503 (2010)


Article DOI: 10.1021/bi100299r
BindingDB Entry DOI: 10.7270/Q2PK0DSZ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM92885
PNG
(S2107)
Show SMILES NCc1cccc(COc2c(F)cc(F)cc2C2CC2N)c1
Show InChI InChI=1S/C17H18F2N2O/c18-12-5-14(13-7-16(13)21)17(15(19)6-12)22-9-11-3-1-2-10(4-11)8-20/h1-6,13,16H,7-9,20-21H2
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n/an/a 4.10E+3n/an/an/an/an/an/a



RIKEN Systems and Structural Biology Center



Assay Description
The kinetic inhibition parameters of LSD1 demethylase inhibition were obtained using the peroxidase-coupled reaction method.


Biochemistry 49: 6494-503 (2010)


Article DOI: 10.1021/bi100299r
BindingDB Entry DOI: 10.7270/Q2PK0DSZ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50346866
PNG
(CHEMBL1797643 | S1201)
Show SMILES NC1CC1c1cccc(F)c1OCc1ccccc1
Show InChI InChI=1S/C16H16FNO/c17-14-8-4-7-12(13-9-15(13)18)16(14)19-10-11-5-2-1-3-6-11/h1-8,13,15H,9-10,18H2
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n/an/a 8.10E+3n/an/an/an/an/an/a



RIKEN Systems and Structural Biology Center



Assay Description
The kinetic inhibition parameters of LSD1 demethylase inhibition were obtained using the peroxidase-coupled reaction method.


Biochemistry 49: 6494-503 (2010)


Article DOI: 10.1021/bi100299r
BindingDB Entry DOI: 10.7270/Q2PK0DSZ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50346865
PNG
(2-PFPA | CHEMBL1797642)
Show SMILES NC1CC1c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C9H6F5N/c10-5-4(2-1-3(2)15)6(11)8(13)9(14)7(5)12/h2-3H,1,15H2
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PubMed
n/an/a 8.90E+3n/an/an/an/an/an/a



RIKEN Systems and Structural Biology Center



Assay Description
The kinetic inhibition parameters of LSD1 demethylase inhibition were obtained using the peroxidase-coupled reaction method.


Biochemistry 49: 6494-503 (2010)


Article DOI: 10.1021/bi100299r
BindingDB Entry DOI: 10.7270/Q2PK0DSZ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50346867
PNG
(CHEMBL1797644 | S1402)
Show SMILES CC(C)COc1ccc(Cl)cc1C1CC1N
Show InChI InChI=1S/C13H18ClNO/c1-8(2)7-16-13-4-3-9(14)5-11(13)10-6-12(10)15/h3-5,8,10,12H,6-7,15H2,1-2H3
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n/an/a 1.49E+4n/an/an/an/an/an/a



RIKEN Systems and Structural Biology Center



Assay Description
The kinetic inhibition parameters of LSD1 demethylase inhibition were obtained using the peroxidase-coupled reaction method.


Biochemistry 49: 6494-503 (2010)


Article DOI: 10.1021/bi100299r
BindingDB Entry DOI: 10.7270/Q2PK0DSZ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM92886
PNG
(S2206)
Show SMILES COc1cccc(COc2c(F)cc(F)cc2C2CC2N)c1
Show InChI InChI=1S/C17H17F2NO2/c1-21-12-4-2-3-10(5-12)9-22-17-14(13-8-16(13)20)6-11(18)7-15(17)19/h2-7,13,16H,8-9,20H2,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



RIKEN Systems and Structural Biology Center



Assay Description
The kinetic inhibition parameters of LSD1 demethylase inhibition were obtained using the peroxidase-coupled reaction method.


Biochemistry 49: 6494-503 (2010)


Article DOI: 10.1021/bi100299r
BindingDB Entry DOI: 10.7270/Q2PK0DSZ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM92880
PNG
(S1401)
Show SMILES NC1CC1c1cc(Cl)ccc1OCc1ccccc1
Show InChI InChI=1S/C16H16ClNO/c17-12-6-7-16(14(8-12)13-9-15(13)18)19-10-11-4-2-1-3-5-11/h1-8,13,15H,9-10,18H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



RIKEN Systems and Structural Biology Center



Assay Description
The kinetic inhibition parameters of LSD1 demethylase inhibition were obtained using the peroxidase-coupled reaction method.


Biochemistry 49: 6494-503 (2010)


Article DOI: 10.1021/bi100299r
BindingDB Entry DOI: 10.7270/Q2PK0DSZ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM92882
PNG
(S1601)
Show SMILES NC1CC1c1ccc(OCc2ccccc2)cc1OCc1ccccc1
Show InChI InChI=1S/C23H23NO2/c24-22-14-21(22)20-12-11-19(25-15-17-7-3-1-4-8-17)13-23(20)26-16-18-9-5-2-6-10-18/h1-13,21-22H,14-16,24H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



RIKEN Systems and Structural Biology Center



Assay Description
The kinetic inhibition parameters of LSD1 demethylase inhibition were obtained using the peroxidase-coupled reaction method.


Biochemistry 49: 6494-503 (2010)


Article DOI: 10.1021/bi100299r
BindingDB Entry DOI: 10.7270/Q2PK0DSZ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM92883
PNG
(S1602)
Show SMILES CC(C)COc1ccc(C2CC2N)c(OCC(C)C)c1
Show InChI InChI=1S/C17H27NO2/c1-11(2)9-19-13-5-6-14(15-8-16(15)18)17(7-13)20-10-12(3)4/h5-7,11-12,15-16H,8-10,18H2,1-4H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



RIKEN Systems and Structural Biology Center



Assay Description
The kinetic inhibition parameters of LSD1 demethylase inhibition were obtained using the peroxidase-coupled reaction method.


Biochemistry 49: 6494-503 (2010)


Article DOI: 10.1021/bi100299r
BindingDB Entry DOI: 10.7270/Q2PK0DSZ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM92884
PNG
(S1603)
Show SMILES NC1CC1c1ccc(OCC2CCCCC2)cc1OCC1CCCCC1
Show InChI InChI=1S/C23H35NO2/c24-22-14-21(22)20-12-11-19(25-15-17-7-3-1-4-8-17)13-23(20)26-16-18-9-5-2-6-10-18/h11-13,17-18,21-22H,1-10,14-16,24H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



RIKEN Systems and Structural Biology Center



Assay Description
The kinetic inhibition parameters of LSD1 demethylase inhibition were obtained using the peroxidase-coupled reaction method.


Biochemistry 49: 6494-503 (2010)


Article DOI: 10.1021/bi100299r
BindingDB Entry DOI: 10.7270/Q2PK0DSZ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM92879
PNG
(S1310)
Show SMILES NC1CC1c1cc(F)ccc1-c1ccccc1
Show InChI InChI=1S/C15H14FN/c16-11-6-7-12(10-4-2-1-3-5-10)13(8-11)14-9-15(14)17/h1-8,14-15H,9,17H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



RIKEN Systems and Structural Biology Center



Assay Description
The kinetic inhibition parameters of LSD1 demethylase inhibition were obtained using the peroxidase-coupled reaction method.


Biochemistry 49: 6494-503 (2010)


Article DOI: 10.1021/bi100299r
BindingDB Entry DOI: 10.7270/Q2PK0DSZ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM92881
PNG
(S1502)
Show SMILES CC(C)COc1c(Cl)cc(Cl)cc1C1CC1N
Show InChI InChI=1S/C13H17Cl2NO/c1-7(2)6-17-13-10(9-5-12(9)16)3-8(14)4-11(13)15/h3-4,7,9,12H,5-6,16H2,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



RIKEN Systems and Structural Biology Center



Assay Description
The kinetic inhibition parameters of LSD1 demethylase inhibition were obtained using the peroxidase-coupled reaction method.


Biochemistry 49: 6494-503 (2010)


Article DOI: 10.1021/bi100299r
BindingDB Entry DOI: 10.7270/Q2PK0DSZ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50113851
PNG
((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...)
Show SMILES NC1CC1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2
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n/an/a 1.84E+5n/an/an/an/an/an/a



RIKEN Systems and Structural Biology Center



Assay Description
The kinetic inhibition parameters of LSD1 demethylase inhibition were obtained using the peroxidase-coupled reaction method.


Biochemistry 49: 6494-503 (2010)


Article DOI: 10.1021/bi100299r
BindingDB Entry DOI: 10.7270/Q2PK0DSZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%