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BDBM50324527 4-[(8-Dimethylaminooctyl)-(hydroxyl)amino]-4-oxobutanoic Acid Hydrochloride::CHEMBL1215587

SMILES: CN(C)CCCCCCCCN(O)C(=O)CCC(O)=O

InChI Key: InChIKey=FKNFFLDUNDBHGD-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50324527   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50324527
PNG
(4-[(8-Dimethylaminooctyl)-(hydroxyl)amino]-4-oxobu...)
Show SMILES CN(C)CCCCCCCCN(O)C(=O)CCC(O)=O
Show InChI InChI=1S/C14H28N2O4/c1-15(2)11-7-5-3-4-6-8-12-16(20)13(17)9-10-14(18)19/h20H,3-12H2,1-2H3,(H,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.10E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2A expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay


J Med Chem 53: 5629-38 (2010)


Article DOI: 10.1021/jm1003655
BindingDB Entry DOI: 10.7270/Q2N87B02
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50324527
PNG
(4-[(8-Dimethylaminooctyl)-(hydroxyl)amino]-4-oxobu...)
Show SMILES CN(C)CCCCCCCCN(O)C(=O)CCC(O)=O
Show InChI InChI=1S/C14H28N2O4/c1-15(2)11-7-5-3-4-6-8-12-16(20)13(17)9-10-14(18)19/h20H,3-12H2,1-2H3,(H,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PHD2 expressed in Sf9 cells by time-resolved fluorescence assay


J Med Chem 53: 5629-38 (2010)


Article DOI: 10.1021/jm1003655
BindingDB Entry DOI: 10.7270/Q2N87B02
More data for this
Ligand-Target Pair
Egl nine homolog 2


(Homo sapiens (Human))
BDBM50324527
PNG
(4-[(8-Dimethylaminooctyl)-(hydroxyl)amino]-4-oxobu...)
Show SMILES CN(C)CCCCCCCCN(O)C(=O)CCC(O)=O
Show InChI InChI=1S/C14H28N2O4/c1-15(2)11-7-5-3-4-6-8-12-16(20)13(17)9-10-14(18)19/h20H,3-12H2,1-2H3,(H,18,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PHD1 expressed in Sf9 cells by time-resolved fluorescence assay


J Med Chem 53: 5629-38 (2010)


Article DOI: 10.1021/jm1003655
BindingDB Entry DOI: 10.7270/Q2N87B02
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50324527
PNG
(4-[(8-Dimethylaminooctyl)-(hydroxyl)amino]-4-oxobu...)
Show SMILES CN(C)CCCCCCCCN(O)C(=O)CCC(O)=O
Show InChI InChI=1S/C14H28N2O4/c1-15(2)11-7-5-3-4-6-8-12-16(20)13(17)9-10-14(18)19/h20H,3-12H2,1-2H3,(H,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2C expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay


J Med Chem 53: 5629-38 (2010)


Article DOI: 10.1021/jm1003655
BindingDB Entry DOI: 10.7270/Q2N87B02
More data for this
Ligand-Target Pair