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BDBM50152850 1-HEXYLDECANOIC ACID::CHEMBL82293::Hexadecanoic acid::Hexadecanoic acid anion::Palmitic acid (PA)

SMILES: CCCCCCCCCCCCCCCC(O)=O

InChI Key: InChIKey=IPCSVZSSVZVIGE-UHFFFAOYSA-N

Data: 5 KI  7 IC50  2 Kd

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 14 hits for monomerid = 50152850   
Target
(Institution)
LigandTarget
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
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50152850
PNG
(1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...)
Show SMILES CCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
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PubMed
336n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from aFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50152850
PNG
(1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...)
Show SMILES CCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
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670n/an/an/an/an/an/an/an/a



Emory University School of Medicine



Assay Description
In brief, both wild-type and mutant hFABP5 were expressed and purified to homogeneity as described above and dialyzed in PBS (pH 8.2). Binding affini...


J Biol Chem 289: 14941-54 (2014)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)(DSm)


(Homo sapiens (Human))
BDBM50152850
PNG
(1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...)
Show SMILES CCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
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690n/an/an/an/an/an/an/an/a



Emory University School of Medicine



Assay Description
In brief, both wild-type and mutant hFABP5 were expressed and purified to homogeneity as described above and dialyzed in PBS (pH 8.2). Binding affini...


J Biol Chem 289: 14941-54 (2014)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50152850
PNG
(1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...)
Show SMILES CCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
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802n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from eFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)(NLSm)


(Homo sapiens (Human))
BDBM50152850
PNG
(1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...)
Show SMILES CCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
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3.06E+3n/an/an/an/an/an/an/an/a



Emory University School of Medicine



Assay Description
In brief, both wild-type and mutant hFABP5 were expressed and purified to homogeneity as described above and dialyzed in PBS (pH 8.2). Binding affini...


J Biol Chem 289: 14941-54 (2014)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50152850
PNG
(1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...)
Show SMILES CCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against epithelial fatty acid binding protein(E-FABP)


Bioorg Med Chem Lett 14: 4445-8 (2004)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50152850
PNG
(1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...)
Show SMILES CCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
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n/an/an/a 802n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human kFABP


J Med Chem 49: 5013-7 (2006)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
BDBM50152850
PNG
(1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...)
Show SMILES CCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of TLR2 agonist Pam3Cys-Ser-(Lys)4-OH-mediated IL8 secretion in THP1 cells


J Med Chem 49: 1754-65 (2006)

More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens)
BDBM50152850
PNG
(1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...)
Show SMILES CCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
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PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against heart and muscle fatty acid binding protein(H-FABP)


Bioorg Med Chem Lett 14: 4445-8 (2004)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Intestinal fatty acid-binding protein (hIFABP)


(Homo sapiens (Human))
BDBM50152850
PNG
(1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...)
Show SMILES CCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
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Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against intestinal fatty acid binding protein(I-FABP)


Bioorg Med Chem Lett 14: 4445-8 (2004)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50152850
PNG
(1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...)
Show SMILES CCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
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PubMed
n/an/an/a 8.30E+4n/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Binding affinity against Adipocyte lipid binding protein


J Med Chem 45: 2469-83 (2002)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50152850
PNG
(1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...)
Show SMILES CCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
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n/an/a>5.00E+5n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of sheep COX2-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid


J Nat Prod 64: 745-9 (2001)

More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50152850
PNG
(1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...)
Show SMILES CCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
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n/an/a>5.00E+5n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of bovine COX1-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid


J Nat Prod 64: 745-9 (2001)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50152850
PNG
(1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...)
Show SMILES CCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
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Article
PubMed
n/an/a 930n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against adipocyte fatty acid binding protein(A-FABP)


Bioorg Med Chem Lett 14: 4445-8 (2004)

More data for this
Ligand-Target Pair