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BDBM36184 4-phenylbutanoate

SMILES: [O-]C(=O)CCCc1ccccc1

InChI Key: InChIKey=OBKXEAXTFZPCHS-UHFFFAOYSA-M

Data: 1 KI  10 IC50  1 ITC

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 11 hits for monomerid = 36184   
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
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM36184
PNG
(4-phenylbutanoate)
Show SMILES [O-]C(=O)CCCc1ccccc1
Show InChI InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)/p-1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting


Eur J Med Chem 46: 433-8 (2010)


Article DOI: 10.1016/j.ejmech.2010.10.012
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM36184
PNG
(4-phenylbutanoate)
Show SMILES [O-]C(=O)CCCc1ccccc1
Show InChI InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)/p-1
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PubMed
n/an/a 6.40E+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)


Article DOI: 10.1021/ml1001954
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM36184
PNG
(4-phenylbutanoate)
Show SMILES [O-]C(=O)CCCc1ccccc1
Show InChI InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)/p-1
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PubMed
n/an/a 6.50E+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)


Article DOI: 10.1021/ml1001954
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM36184
PNG
(4-phenylbutanoate)
Show SMILES [O-]C(=O)CCCc1ccccc1
Show InChI InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)/p-1
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n/an/a 2.60E+5n/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)


Article DOI: 10.1021/ml1001954
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM36184
PNG
(4-phenylbutanoate)
Show SMILES [O-]C(=O)CCCc1ccccc1
Show InChI InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)/p-1
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n/an/a 2.40E+5n/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)


Article DOI: 10.1021/ml1001954
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM36184
PNG
(4-phenylbutanoate)
Show SMILES [O-]C(=O)CCCc1ccccc1
Show InChI InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)/p-1
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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 HDAC4


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


Article DOI: 10.1021/ml1001954
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM36184
PNG
(4-phenylbutanoate)
Show SMILES [O-]C(=O)CCCc1ccccc1
Show InChI InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)/p-1
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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 HDAC5


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


Article DOI: 10.1021/ml1001954
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM36184
PNG
(4-phenylbutanoate)
Show SMILES [O-]C(=O)CCCc1ccccc1
Show InChI InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)/p-1
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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)


Article DOI: 10.1021/ml1001954
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM36184
PNG
(4-phenylbutanoate)
Show SMILES [O-]C(=O)CCCc1ccccc1
Show InChI InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)/p-1
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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)


Article DOI: 10.1021/ml1001954
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-5 (SIRT5)


(Homo sapiens (Human))
BDBM36184
PNG
(4-phenylbutanoate)
Show SMILES [O-]C(=O)CCCc1ccccc1
Show InChI InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)/p-1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of SIRT5


J Med Chem 55: 5582-90 (2012)


Article DOI: 10.1021/jm300526r
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM36184
PNG
(4-phenylbutanoate)
Show SMILES [O-]C(=O)CCCc1ccccc1
Show InChI InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)/p-1
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PubMed
n/an/a 9.30E+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)


Article DOI: 10.1021/ml1001954
More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 36184
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
BDBM11
JPEG
BDBM36184
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
PC cid
PC sid
-3.60-0.783-2.812.646.9025



NIST





J Phys Chem B 101: 87-100 (1997)