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PubMed code 24692551

Compile data set for download or QSAR
Found 18 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Fatty acid-binding protein 5


(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
670 -35.8n/an/an/an/an/a8.230



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)


Article DOI: 10.1074/jbc.M113.514646
BindingDB Entry DOI: 10.7270/Q21835CT
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 [M35A,L60A]


(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
690 -35.8n/an/an/an/an/a8.230



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)


Article DOI: 10.1074/jbc.M113.514646
BindingDB Entry DOI: 10.7270/Q21835CT
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 [M35A,L60A]


(Homo sapiens (Human))
BDBM228800
PNG
(NOEV | Sapienic acid (SpA))
Show SMILES CCCCCCCCN[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |t:10|
Show InChI InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-16-12-9-11(10-17)13(18)15(20)14(12)19/h9,12-20H,2-8,10H2,1H3/t12-,13+,14-,15-/m0/s1
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700 -35.7n/an/an/an/an/a8.230



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)


Article DOI: 10.1074/jbc.M113.514646
BindingDB Entry DOI: 10.7270/Q21835CT
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5


(Homo sapiens (Human))
BDBM228800
PNG
(NOEV | Sapienic acid (SpA))
Show SMILES CCCCCCCCN[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |t:10|
Show InChI InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-16-12-9-11(10-17)13(18)15(20)14(12)19/h9,12-20H,2-8,10H2,1H3/t12-,13+,14-,15-/m0/s1
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1.10E+3 -34.6n/an/an/an/an/a8.230



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)


Article DOI: 10.1074/jbc.M113.514646
BindingDB Entry DOI: 10.7270/Q21835CT
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 [K24A,R33A,K34A]


(Homo sapiens (Human))
BDBM228800
PNG
(NOEV | Sapienic acid (SpA))
Show SMILES CCCCCCCCN[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |t:10|
Show InChI InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-16-12-9-11(10-17)13(18)15(20)14(12)19/h9,12-20H,2-8,10H2,1H3/t12-,13+,14-,15-/m0/s1
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1.24E+3 -34.3n/an/an/an/an/a8.230



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)


Article DOI: 10.1074/jbc.M113.514646
BindingDB Entry DOI: 10.7270/Q21835CT
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5


(Homo sapiens (Human))
BDBM22231
PNG
((9Z,12Z)-octadeca-9,12-dienoic acid | CHEMBL267476...)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
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1.26E+3 -34.2n/an/an/an/an/a8.230



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)


Article DOI: 10.1074/jbc.M113.514646
BindingDB Entry DOI: 10.7270/Q21835CT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid-binding protein 5


(Homo sapiens (Human))
BDBM50269531
PNG
((9Z)-hexadec-9-enoic acid | (Z)-9-hexadecenoic aci...)
Show SMILES CCCCCC\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-
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1.36E+3 -34.0n/an/an/an/an/a8.230



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)


Article DOI: 10.1074/jbc.M113.514646
BindingDB Entry DOI: 10.7270/Q21835CT
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 [K24A,R33A,K34A]


(Homo sapiens (Human))
BDBM50269531
PNG
((9Z)-hexadec-9-enoic acid | (Z)-9-hexadecenoic aci...)
Show SMILES CCCCCC\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-
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1.64E+3 -33.6n/an/an/an/an/a8.230



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)


Article DOI: 10.1074/jbc.M113.514646
BindingDB Entry DOI: 10.7270/Q21835CT
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 [M35A,L60A]


(Homo sapiens (Human))
BDBM50269531
PNG
((9Z)-hexadec-9-enoic acid | (Z)-9-hexadecenoic aci...)
Show SMILES CCCCCC\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-
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1.78E+3 -33.4n/an/an/an/an/a8.230



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)


Article DOI: 10.1074/jbc.M113.514646
BindingDB Entry DOI: 10.7270/Q21835CT
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 [K24A,R33A,K34A]


(Homo sapiens (Human))
BDBM22231
PNG
((9Z,12Z)-octadeca-9,12-dienoic acid | CHEMBL267476...)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
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2.17E+3 -32.9n/an/an/an/an/a8.230



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)


Article DOI: 10.1074/jbc.M113.514646
BindingDB Entry DOI: 10.7270/Q21835CT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid-binding protein 5


(Homo sapiens (Human))
BDBM22319
PNG
((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-
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2.59E+3 -32.4n/an/an/an/an/a8.230



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)


Article DOI: 10.1074/jbc.M113.514646
BindingDB Entry DOI: 10.7270/Q21835CT
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 [K24A,R33A,K34A]


(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+3 -32.0n/an/an/an/an/a8.230



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)


Article DOI: 10.1074/jbc.M113.514646
BindingDB Entry DOI: 10.7270/Q21835CT
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 [M35A,L60A]


(Homo sapiens (Human))
BDBM22231
PNG
((9Z,12Z)-octadeca-9,12-dienoic acid | CHEMBL267476...)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
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3.47E+3 -31.7n/an/an/an/an/a8.230



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)


Article DOI: 10.1074/jbc.M113.514646
BindingDB Entry DOI: 10.7270/Q21835CT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid-binding protein 5 [M35A,L60A]


(Homo sapiens (Human))
BDBM22319
PNG
((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-
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5.01E+3 -30.8n/an/an/an/an/a8.230



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)


Article DOI: 10.1074/jbc.M113.514646
BindingDB Entry DOI: 10.7270/Q21835CT
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 [K24A,R33A,K34A]


(Homo sapiens (Human))
BDBM22319
PNG
((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-
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9.37E+3 -29.2n/an/an/an/an/a8.230



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)


Article DOI: 10.1074/jbc.M113.514646
BindingDB Entry DOI: 10.7270/Q21835CT
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 [K24A,R33A,K34A]


(Homo sapiens (Human))
BDBM60927
PNG
(1-anilinonaphthalene-8-sulfonic acid | 8-Anilino-1...)
Show SMILES OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
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n/an/an/a 1.26E+4n/an/an/a8.230



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)


Article DOI: 10.1074/jbc.M113.514646
BindingDB Entry DOI: 10.7270/Q21835CT
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5


(Homo sapiens (Human))
BDBM60927
PNG
(1-anilinonaphthalene-8-sulfonic acid | 8-Anilino-1...)
Show SMILES OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
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n/an/an/a 6.57E+3n/an/an/a8.230



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)


Article DOI: 10.1074/jbc.M113.514646
BindingDB Entry DOI: 10.7270/Q21835CT
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 [M35A,L60A]


(Homo sapiens (Human))
BDBM60927
PNG
(1-anilinonaphthalene-8-sulfonic acid | 8-Anilino-1...)
Show SMILES OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
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n/an/an/a 6.10E+3n/an/an/a8.230



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)


Article DOI: 10.1074/jbc.M113.514646
BindingDB Entry DOI: 10.7270/Q21835CT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%