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Compile Data Set for Download or QSAR

Found 12 hits of ic50 for monomerid = 50344962   
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 demethylase 4A


(Homo sapiens (Human))
BDBM50344962
PNG
((2S)-2-HYDROXYPENTANEDIOIC ACID | CHEMBL1615211 | ...)
Show SMILES O[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m0/s1
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Article
PubMed
n/an/a 2.60E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of KDM4A


J Med Chem 54: 8236-50 (2011)


Article DOI: 10.1021/jm201048w
BindingDB Entry DOI: 10.7270/Q2D50NFR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 2A


(Homo sapiens (Human))
BDBM50344962
PNG
((2S)-2-HYDROXYPENTANEDIOIC ACID | CHEMBL1615211 | ...)
Show SMILES O[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m0/s1
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n/an/a 4.80E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of KDM2A


J Med Chem 54: 8236-50 (2011)


Article DOI: 10.1021/jm201048w
BindingDB Entry DOI: 10.7270/Q2D50NFR
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50344962
PNG
((2S)-2-HYDROXYPENTANEDIOIC ACID | CHEMBL1615211 | ...)
Show SMILES O[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m0/s1
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n/an/a 9.70E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of KDM4C


J Med Chem 54: 8236-50 (2011)


Article DOI: 10.1021/jm201048w
BindingDB Entry DOI: 10.7270/Q2D50NFR
More data for this
Ligand-Target Pair
DNA oxidative demethylase ALKBH2


(Homo sapiens)
BDBM50344962
PNG
((2S)-2-HYDROXYPENTANEDIOIC ACID | CHEMBL1615211 | ...)
Show SMILES O[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m0/s1
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n/an/a 1.50E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha inhibitor


(Homo sapiens (Human))
BDBM50344962
PNG
((2S)-2-HYDROXYPENTANEDIOIC ACID | CHEMBL1615211 | ...)
Show SMILES O[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m0/s1
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n/an/a 1.89E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens (Human))
BDBM50344962
PNG
((2S)-2-HYDROXYPENTANEDIOIC ACID | CHEMBL1615211 | ...)
Show SMILES O[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m0/s1
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n/an/a 3.20E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human hexahistidine-tagged full-length FTO expressed in Escherichia coli BL21 (DE3) using 3-methylthymidine as substrate assessed as in...


J Med Chem 56: 3680-8 (2013)


Article DOI: 10.1021/jm400193d
BindingDB Entry DOI: 10.7270/Q21V5GBQ
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50344962
PNG
((2S)-2-HYDROXYPENTANEDIOIC ACID | CHEMBL1615211 | ...)
Show SMILES O[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m0/s1
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n/an/a 4.19E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Prolyl 4-hydroxylase


(Paramecium bursaria Chlorella virus 1)
BDBM50344962
PNG
((2S)-2-HYDROXYPENTANEDIOIC ACID | CHEMBL1615211 | ...)
Show SMILES O[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m0/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant Paramecium bursaria chlorella virus 1 CPH expressed in Escherichia coli Rosetta 2 (DE3) cells pre-in...


Bioorg Med Chem 27: 2405-2412 (2019)


Article DOI: 10.1016/j.bmc.2019.01.018
BindingDB Entry DOI: 10.7270/Q2KK9G4R
More data for this
Ligand-Target Pair
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens (Human))
BDBM50344962
PNG
((2S)-2-HYDROXYPENTANEDIOIC ACID | CHEMBL1615211 | ...)
Show SMILES O[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha inhibitor


(Homo sapiens (Human))
BDBM50344962
PNG
((2S)-2-HYDROXYPENTANEDIOIC ACID | CHEMBL1615211 | ...)
Show SMILES O[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m0/s1
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n/an/a 1.50E+6n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00415
BindingDB Entry DOI: 10.7270/Q2CN7810
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM50344962
PNG
((2S)-2-HYDROXYPENTANEDIOIC ACID | CHEMBL1615211 | ...)
Show SMILES O[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m0/s1
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n/an/a 1.60E+6n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Alpha-ketoglutarate-dependent dioxygenase alkB homolog 3


(Homo sapiens (Human))
BDBM50344962
PNG
((2S)-2-HYDROXYPENTANEDIOIC ACID | CHEMBL1615211 | ...)
Show SMILES O[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m0/s1
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n/an/a 2.43E+7n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair