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BDBM26109 Butyrate::butanoic acid::butanoic acid, 4

SMILES: CCCC(O)=O

InChI Key: InChIKey=FERIUCNNQQJTOY-UHFFFAOYSA-N

Data: 2 KI  10 IC50  1 Kd  1 ITC

PDB links: 17 PDB IDs match this monomer.

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 13 hits for monomerid = 26109   
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
Solute carrier family 22 member 20


(Mus musculus)
BDBM26109
PNG
(Butyrate | butanoic acid | butanoic acid, 4)
Show SMILES CCCC(O)=O
Show InChI InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
KEGG

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Article
PubMed
8.20E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr


J Biol Chem 282: 23841-53 (2007)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Mus musculus)
BDBM26109
PNG
(Butyrate | butanoic acid | butanoic acid, 4)
Show SMILES CCCC(O)=O
Show InChI InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
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Article
PubMed
3.50E+6n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr


J Biol Chem 282: 23841-53 (2007)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM26109
PNG
(Butyrate | butanoic acid | butanoic acid, 4)
Show SMILES CCCC(O)=O
Show InChI InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
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Article
PubMed
n/an/a 1.60E+4n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


ACS Med Chem Lett 2: 39-42 (2011)

More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM26109
PNG
(Butyrate | butanoic acid | butanoic acid, 4)
Show SMILES CCCC(O)=O
Show InChI InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


ACS Med Chem Lett 2: 39-42 (2011)

More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM26109
PNG
(Butyrate | butanoic acid | butanoic acid, 4)
Show SMILES CCCC(O)=O
Show InChI InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
PDB
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n/an/a>2.00E+6n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6


ACS Med Chem Lett 2: 39-42 (2011)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM26109
PNG
(Butyrate | butanoic acid | butanoic acid, 4)
Show SMILES CCCC(O)=O
Show InChI InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
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PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8


ACS Med Chem Lett 2: 39-42 (2011)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM26109
PNG
(Butyrate | butanoic acid | butanoic acid, 4)
Show SMILES CCCC(O)=O
Show InChI InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
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Article
PubMed
n/an/a>2.00E+6n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4


ACS Med Chem Lett 2: 39-42 (2011)

More data for this
Ligand-Target Pair
Histone deacetylase 1/3/5/8


(Homo sapiens (Human))
BDBM26109
PNG
(Butyrate | butanoic acid | butanoic acid, 4)
Show SMILES CCCC(O)=O
Show InChI InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
KEGG

UniProtKB/SwissProt

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PubMed
n/an/a>2.00E+6n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC5


ACS Med Chem Lett 2: 39-42 (2011)

More data for this
Ligand-Target Pair
Histone deacetylase 7 (HDAC7)


(Homo sapiens (human))
BDBM26109
PNG
(Butyrate | butanoic acid | butanoic acid, 4)
Show SMILES CCCC(O)=O
Show InChI InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
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n/an/a>2.00E+6n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC7


ACS Med Chem Lett 2: 39-42 (2011)

More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM26109
PNG
(Butyrate | butanoic acid | butanoic acid, 4)
Show SMILES CCCC(O)=O
Show InChI InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
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n/an/a>2.00E+6n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC9


ACS Med Chem Lett 2: 39-42 (2011)

More data for this
Ligand-Target Pair
Methyl-accepting chemotaxis protein (McpS)


(Pseudomonas putida (Arthrobacter siderocapsulatus))
BDBM26109
PNG
(Butyrate | butanoic acid | butanoic acid, 4)
Show SMILES CCCC(O)=O
Show InChI InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
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n/an/an/a 9.20E+4n/an/an/an/a20



CSIC



Assay Description
Measurements were done on a VP-microcalorimeter (MicroCal, Amherst, MA).


J Biol Chem 285: 23126-36 (2010)

More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM26109
PNG
(Butyrate | butanoic acid | butanoic acid, 4)
Show SMILES CCCC(O)=O
Show InChI InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
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Article
PubMed
n/an/a>1.00E+7n/an/an/an/a7.537



University of Oxford



Assay Description
A coupled-assay for JMJD2E activity employing formaldehyde dehydrogenase (FDH) from Pseudomonas putida was developed. Formaldehyde release by demethy...


J Med Chem 51: 7053-6 (2008)

More data for this
Ligand-Target Pair
Histone deacetylase 3/NCoR1


(Homo sapiens (human))
BDBM26109
PNG
(Butyrate | butanoic acid | butanoic acid, 4)
Show SMILES CCCC(O)=O
Show InChI InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
PDB

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PubMed
n/an/a 9.00E+3n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3


ACS Med Chem Lett 2: 39-42 (2011)

More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 26109
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
Methyl-accepting chemotaxis protein (McpS)

(Pseudomonas putida (Arthrobacter siderocapsulatus))
BDBM26109
JPEG
(Butyrate | butanoic acid | butanoic acid, 4)
GoogleScholar
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-5.412.80-7.884.04n/a20



CSIC





J Biol Chem 285: 23126-36 (2010)