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BDBM50324528 3-({9-[Butyl(methyl)]amino}nonanoyl(hydroxy)amino)propanoicAcid Hydrochloride::CHEMBL1215588

SMILES: CCCCN(C)CCCCCCCCC(=O)N(O)CCC(O)=O

InChI Key: InChIKey=WAWASSGKSDKJEA-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50324528   
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))
BDBM50324528
PNG
(3-({9-[Butyl(methyl)]amino}nonanoyl(hydroxy)amino)...)
Show SMILES CCCCN(C)CCCCCCCCC(=O)N(O)CCC(O)=O
Show InChI InChI=1S/C17H34N2O4/c1-3-4-13-18(2)14-10-8-6-5-7-9-11-16(20)19(23)15-12-17(21)22/h23H,3-15H2,1-2H3,(H,21,22)
PDB

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.20E+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))
BDBM50324528
PNG
(3-({9-[Butyl(methyl)]amino}nonanoyl(hydroxy)amino)...)
Show SMILES CCCCN(C)CCCCCCCCC(=O)N(O)CCC(O)=O
Show InChI InChI=1S/C17H34N2O4/c1-3-4-13-18(2)14-10-8-6-5-7-9-11-16(20)19(23)15-12-17(21)22/h23H,3-15H2,1-2H3,(H,21,22)
PDB
MMDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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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))
BDBM50324528
PNG
(3-({9-[Butyl(methyl)]amino}nonanoyl(hydroxy)amino)...)
Show SMILES CCCCN(C)CCCCCCCCC(=O)N(O)CCC(O)=O
Show InChI InChI=1S/C17H34N2O4/c1-3-4-13-18(2)14-10-8-6-5-7-9-11-16(20)19(23)15-12-17(21)22/h23H,3-15H2,1-2H3,(H,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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))
BDBM50324528
PNG
(3-({9-[Butyl(methyl)]amino}nonanoyl(hydroxy)amino)...)
Show SMILES CCCCN(C)CCCCCCCCC(=O)N(O)CCC(O)=O
Show InChI InChI=1S/C17H34N2O4/c1-3-4-13-18(2)14-10-8-6-5-7-9-11-16(20)19(23)15-12-17(21)22/h23H,3-15H2,1-2H3,(H,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+4n/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