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  17 IC50  3 Kd  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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 5 hits for monomerid = 50152850   

TargetFatty acid-binding protein, adipocyte(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50152850(1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...)
Affinity DataKi:  336nMAssay Description:Displacement of 1,8-ANS from aFABP by fluorescence based-assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFatty acid-binding protein 5(Homo sapiens (Human))
Emory University

LigandPNGBDBM50152850(1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...)
Affinity DataKi:  670nM ΔG°:  -8.56kcal/molepH: 8.2 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFatty acid-binding protein 5 [M35A,L60A](Homo sapiens (Human))
Emory University

LigandPNGBDBM50152850(1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...)
Affinity DataKi:  690nM ΔG°:  -8.54kcal/molepH: 8.2 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFatty acid-binding protein 5(Homo sapiens (Human))
Emory University

LigandPNGBDBM50152850(1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...)
Affinity DataKi:  802nMAssay Description:Displacement of 1,8-ANS from eFABP by fluorescence based-assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFatty acid-binding protein 5 [K24A,R33A,K34A](Homo sapiens (Human))
Emory University

LigandPNGBDBM50152850(1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...)
Affinity DataKi:  3.06E+3nM ΔG°:  -7.64kcal/molepH: 8.2 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed