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BDBM50440289 CHEMBL2424812

SMILES: ON(CCC(O)=O)C(=O)CCCCCCCCC1CC1

InChI Key: InChIKey=NEHSERYKENINRH-UHFFFAOYSA-N

Data: 5 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50440289   
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 6A (KDM6A)


(Homo sapiens (Human))
BDBM50440289
PNG
(CHEMBL2424812)
Show SMILES ON(CCC(O)=O)C(=O)CCCCCCCCC1CC1
Show InChI InChI=1S/C15H27NO4/c17-14(16(20)12-11-15(18)19)8-6-4-2-1-3-5-7-13-9-10-13/h13,20H,1-12H2,(H,18,19)
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM6A after 1 hr


J Med Chem 56: 7222-31 (2013)


Article DOI: 10.1021/jm400624b
BindingDB Entry DOI: 10.7270/Q2SB475V
More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (Human))
BDBM50440289
PNG
(CHEMBL2424812)
Show SMILES ON(CCC(O)=O)C(=O)CCCCCCCCC1CC1
Show InChI InChI=1S/C15H27NO4/c17-14(16(20)12-11-15(18)19)8-6-4-2-1-3-5-7-13-9-10-13/h13,20H,1-12H2,(H,18,19)
PDB

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UniProtKB/TrEMBL

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n/an/a 6.80E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of KDM2A (unknown origin)


J Med Chem 56: 7222-31 (2013)


Article DOI: 10.1021/jm400624b
BindingDB Entry DOI: 10.7270/Q2SB475V
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50440289
PNG
(CHEMBL2424812)
Show SMILES ON(CCC(O)=O)C(=O)CCCCCCCCC1CC1
Show InChI InChI=1S/C15H27NO4/c17-14(16(20)12-11-15(18)19)8-6-4-2-1-3-5-7-13-9-10-13/h13,20H,1-12H2,(H,18,19)
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PubMed
n/an/a>1.20E+5n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of KDM4A (unknown origin) using H3K9me3 peptide and 2-oxoglutarate as substrate after 1 hr by FDH-coupled assay


J Med Chem 56: 7222-31 (2013)


Article DOI: 10.1021/jm400624b
BindingDB Entry DOI: 10.7270/Q2SB475V
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50440289
PNG
(CHEMBL2424812)
Show SMILES ON(CCC(O)=O)C(=O)CCCCCCCCC1CC1
Show InChI InChI=1S/C15H27NO4/c17-14(16(20)12-11-15(18)19)8-6-4-2-1-3-5-7-13-9-10-13/h13,20H,1-12H2,(H,18,19)
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Article
PubMed
n/an/a 8.30E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of KDM4C (unknown origin) using H3K9me3 peptide and 2-oxoglutarate as substrate after 1 hr by FDH-coupled assay


J Med Chem 56: 7222-31 (2013)


Article DOI: 10.1021/jm400624b
BindingDB Entry DOI: 10.7270/Q2SB475V
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50440289
PNG
(CHEMBL2424812)
Show SMILES ON(CCC(O)=O)C(=O)CCCCCCCCC1CC1
Show InChI InChI=1S/C15H27NO4/c17-14(16(20)12-11-15(18)19)8-6-4-2-1-3-5-7-13-9-10-13/h13,20H,1-12H2,(H,18,19)
PDB
MMDB

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KEGG

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Article
PubMed
n/an/a 5.50E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin) using H3K4me3 peptide and 2-oxoglutarate as substrate after 1 hr by FDH-coupled assay


J Med Chem 56: 7222-31 (2013)


Article DOI: 10.1021/jm400624b
BindingDB Entry DOI: 10.7270/Q2SB475V
More data for this
Ligand-Target Pair