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Target
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Compile Data Set for Download or QSAR
Found
4
hits Enz. Inhib. hit(s) with Target = 'Lysine-specific histone demethylase 1A' and Ligand = 'BDBM50346865'
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
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-1
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°C
Lysine-specific histone demethylase 1A
(Homo sapiens (Human))
BDBM50346865
(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
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8.90E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Curated by
ChEMBL
Assay Description
Inhibition of LSD1
Eur J Med Chem
56:
179
-
194
(2012)
Article DOI:
10.1016/j.ejmech.2012.08.010
BindingDB Entry DOI:
10.7270/Q2TQ62NX
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A
(Homo sapiens (Human))
BDBM50346865
(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
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.70E+4
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of hexahistidine-tagged human LSD1 (172 to 833 residues) expressed in Escherichia coli Rosetta (DE3) cells using H3K4me2 peptide as substr...
Citation and Details
Article DOI:
10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI:
10.7270/Q28K7DTB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A
(Homo sapiens (Human))
BDBM50346865
(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
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
8.90E+3
n/a
n/a
n/a
n/a
n/a
n/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
(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
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
9.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
University of Copenhagen
Curated by
ChEMBL
Assay Description
Inhibition of LSD1
Bioorg Med Chem
19:
3625
-
36
(2011)
Article DOI:
10.1016/j.bmc.2011.01.046
BindingDB Entry DOI:
10.7270/Q23X870S
More data for this
Ligand-Target Pair
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