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

SMILES CCCC(O)=O

InChI Key InChIKey=FERIUCNNQQJTOY-UHFFFAOYSA-N

Data  3 KI  10 IC50  1 Kd  1 EC50  1 ITC

PDB links: 27 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 26109   

TargetSolute carrier family 22 member 20(Mus musculus)
University of California

Curated by ChEMBL
LigandPNGBDBM26109(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)
Affinity DataKi:  8.20E+4nMAssay Description:Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hrMore data for this Ligand-Target Pair
TargetHistone deacetylase 1/2/3/4/5/6/7/8/9/11/Polyamine deacetylase HDAC10(Homo sapiens (Human))
Hacettepe University

Curated by ChEMBL
LigandPNGBDBM26109(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)
Affinity DataKi:  1.36E+5nMAssay Description:Inhibition of HDAC in human Hela cells nuclear extracts by fluorimetric assayMore data for this Ligand-Target Pair
TargetSolute carrier family 22 member 6(Mus musculus)
University of California

Curated by ChEMBL
LigandPNGBDBM26109(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)
Affinity DataKi:  3.50E+6nMAssay Description:Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hrMore data for this Ligand-Target Pair
TargetHistone deacetylase 3(Homo sapiens (Human))
Broad Institute of Harvard and MIT

Curated by ChEMBL
LigandPNGBDBM26109(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)
Affinity DataIC50: 9.00E+3nMAssay Description:Inhibition of human recombinant HDAC3More data for this Ligand-Target Pair
TargetHistone deacetylase 8(Homo sapiens (Human))
Broad Institute of Harvard and MIT

Curated by ChEMBL
LigandPNGBDBM26109(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)
Affinity DataIC50: 1.50E+4nMAssay Description:Inhibition of human recombinant HDAC8More data for this Ligand-Target Pair
TargetHistone deacetylase 4(Homo sapiens (Human))
Broad Institute of Harvard and MIT

Curated by ChEMBL
LigandPNGBDBM26109(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)
Affinity DataIC50: 2.00E+6nMAssay Description:Inhibition of human recombinant HDAC4More data for this Ligand-Target Pair
TargetHistone deacetylase 5(Homo sapiens (Human))
Broad Institute of Harvard and MIT

Curated by ChEMBL
LigandPNGBDBM26109(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)
Affinity DataIC50: 2.00E+6nMAssay Description:Inhibition of human recombinant HDAC5More data for this Ligand-Target Pair
TargetHistone deacetylase 7(Homo sapiens (Human))
Broad Institute of Harvard and MIT

Curated by ChEMBL
LigandPNGBDBM26109(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)
Affinity DataIC50: 2.00E+6nMAssay Description:Inhibition of human recombinant HDAC7More data for this Ligand-Target Pair
TargetHistone deacetylase 9(Homo sapiens (Human))
Broad Institute of Harvard and MIT

Curated by ChEMBL
LigandPNGBDBM26109(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)
Affinity DataIC50: 2.00E+6nMAssay Description:Inhibition of human recombinant HDAC9More data for this Ligand-Target Pair
TargetHistone deacetylase 6(Homo sapiens (Human))
Broad Institute of Harvard and MIT

Curated by ChEMBL
LigandPNGBDBM26109(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)
Affinity DataIC50: 2.00E+6nMAssay Description:Inhibition of human recombinant HDAC6More data for this Ligand-Target Pair
TargetFree fatty acid receptor 3(Homo sapiens (Human))
University of Bologna

Curated by ChEMBL
LigandPNGBDBM26109(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)
Affinity DataEC50:  1.20E+4nMAssay Description:Agonist activity at human GPCR41 transfected in HEK293 cells assessed as [35S]GTPgammaS binding by scintillation counting methodMore data for this Ligand-Target Pair
TargetHistone deacetylase 2(Homo sapiens (Human))
Broad Institute of Harvard and MIT

Curated by ChEMBL
LigandPNGBDBM26109(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)
Affinity DataIC50: 1.20E+4nMAssay Description:Inhibition of human recombinant HDAC2More data for this Ligand-Target Pair
TargetHistone deacetylase 1(Homo sapiens (Human))
Broad Institute of Harvard and MIT

Curated by ChEMBL
LigandPNGBDBM26109(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)
Affinity DataIC50: 1.60E+4nMAssay Description:Inhibition of human recombinant HDAC1More data for this Ligand-Target Pair
TargetLysine-specific demethylase 4E(Homo sapiens (Human))
University of Oxford

LigandPNGBDBM26109(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)
Affinity DataIC50: 1.00E+7nMpH: 7.5 T: 2°CAssay Description:A coupled-assay for JMJD2E activity employing formaldehyde dehydrogenase (FDH) from Pseudomonas putida was developed. Formaldehyde release by demethy...More data for this Ligand-Target Pair
TargetMethyl-accepting chemotaxis protein NahY(Pseudomonas putida (Arthrobacter siderocapsulatus))
CSIC

LigandPNGBDBM26109(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)
Affinity DataKd:  9.20E+4nMT: 2°CAssay Description:Measurements were done on a VP-microcalorimeter (MicroCal, Amherst, MA).More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 26109   

CellMethyl-accepting chemotaxis protein (McpS)(Pseudomonas putida (Arthrobacter siderocapsulatus))
CSIC

SyringePNGBDBM26109(Butyrate | butanoic acid | butanoic acid, 4)
ITC DataΔG°: -5.41kcal/mole −TΔS°: 2.80kcal/mole ΔH°: -7.88kcal/mole logk: 1.09E+4
T: 20.00°C