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Compile Data Set for Download or QSAR

Found 50 hits of kd data for polymerid = 6128,6129,6130   
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
Fatty acid-binding protein, liver


(Rattus norvegicus (Rat))
BDBM50085042
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic a...)
Show SMILES CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3
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n/an/an/a 18n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP high affinity site expressed in Escherichia coli BL21(DE3) at 5 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Rattus norvegicus (Rat))
BDBM50085042
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic a...)
Show SMILES CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3
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n/an/an/a 23n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP high affinity site expressed in Escherichia coli BL21(DE3) at 10 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Rattus norvegicus (Rat))
BDBM50085042
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic a...)
Show SMILES CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3
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n/an/an/a 24n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP high affinity site expressed in Escherichia coli BL21(DE3) at 15 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Rattus norvegicus (Rat))
BDBM50085042
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic a...)
Show SMILES CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3
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n/an/an/a 27n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP high affinity site expressed in Escherichia coli BL21(DE3) at 20 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Rattus norvegicus (Rat))
BDBM50085042
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic a...)
Show SMILES CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3
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n/an/an/a 32n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP high affinity site expressed in Escherichia coli BL21(DE3) at 25 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Rattus norvegicus (Rat))
BDBM50085042
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic a...)
Show SMILES CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3
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n/an/an/a 41n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP high affinity site expressed in Escherichia coli BL21(DE3) at 30 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Rattus norvegicus (Rat))
BDBM50085042
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic a...)
Show SMILES CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3
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n/an/an/a 62n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP high affinity site expressed in Escherichia coli BL21(DE3) at 37 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Rattus norvegicus (Rat))
BDBM28700
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...)
Show SMILES CC(C)(Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)
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n/an/an/a 94n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP high affinity site expressed in Escherichia coli BL21(DE3) at 5 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Rattus norvegicus (Rat))
BDBM28700
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...)
Show SMILES CC(C)(Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)
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n/an/an/a 100n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP high affinity site expressed in Escherichia coli BL21(DE3) at 10 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Rattus norvegicus (Rat))
BDBM50085042
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic a...)
Show SMILES CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3
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n/an/an/a 130n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP low affinity site expressed in Escherichia coli BL21(DE3) at 5 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Rattus norvegicus (Rat))
BDBM50085042
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic a...)
Show SMILES CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3
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n/an/an/a 150n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP low affinity site expressed in Escherichia coli BL21(DE3) at 10 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Rattus norvegicus (Rat))
BDBM28700
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...)
Show SMILES CC(C)(Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)
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n/an/an/a 160n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP high affinity site expressed in Escherichia coli BL21(DE3) at 15 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Rattus norvegicus (Rat))
BDBM50085042
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic a...)
Show SMILES CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3
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n/an/an/a 160n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP low affinity site expressed in Escherichia coli BL21(DE3) at 15 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Rattus norvegicus (Rat))
BDBM50085042
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic a...)
Show SMILES CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3
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n/an/an/a 200n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP low affinity site expressed in Escherichia coli BL21(DE3) at 20 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Homo sapiens (Human))
BDBM50150484
PNG
((Z)-9-octadecenoic acid | (Z)-Octadec-9-enoic acid...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
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n/an/an/a 200n/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Binding affinity to L-FABP high binding affinity site by titration calorimetry method


J Med Chem 51: 3755-64 (2008)


Article DOI: 10.1021/jm701192w
BindingDB Entry DOI: 10.7270/Q2KH0P7G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid-binding protein, liver


(Rattus norvegicus (Rat))
BDBM28700
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...)
Show SMILES CC(C)(Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)
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n/an/an/a 220n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP high affinity site expressed in Escherichia coli BL21(DE3) at 20 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Rattus norvegicus (Rat))
BDBM50085042
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic a...)
Show SMILES CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3
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n/an/an/a 250n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP low affinity site expressed in Escherichia coli BL21(DE3) at 25 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Rattus norvegicus (Rat))
BDBM50085042
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic a...)
Show SMILES CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3
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n/an/an/a 270n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP low affinity site expressed in Escherichia coli BL21(DE3) at 30 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Rattus norvegicus (Rat))
BDBM50085042
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic a...)
Show SMILES CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3
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n/an/an/a 320n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP low affinity site expressed in Escherichia coli BL21(DE3) at 37 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Rattus norvegicus (Rat))
BDBM28700
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...)
Show SMILES CC(C)(Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)
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n/an/an/a 340n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP high affinity site expressed in Escherichia coli BL21(DE3) at 25 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Rattus norvegicus (Rat))
BDBM28700
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...)
Show SMILES CC(C)(Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)
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n/an/an/a 360n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP high affinity site expressed in Escherichia coli BL21(DE3) at 30 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Rattus norvegicus (Rat))
BDBM50085042
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic a...)
Show SMILES CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3
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n/an/an/a 360n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP low affinity site expressed in Escherichia coli BL21(DE3) at 42 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Rattus norvegicus (Rat))
BDBM28700
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...)
Show SMILES CC(C)(Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)
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n/an/an/a 420n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP high affinity site expressed in Escherichia coli BL21(DE3) at 37 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Homo sapiens (Human))
BDBM50150484
PNG
((Z)-9-octadecenoic acid | (Z)-Octadec-9-enoic acid...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
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n/an/an/a 900n/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Binding affinity to L-FABP low binding affinity site by titration calorimetry method


J Med Chem 51: 3755-64 (2008)


Article DOI: 10.1021/jm701192w
BindingDB Entry DOI: 10.7270/Q2KH0P7G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid-binding protein, liver


(Homo sapiens (Human))
BDBM50243721
PNG
(1-anilinonaphthalene-8-sulfonic acid | CHEMBL47174...)
Show SMILES OS(=O)(=O)Oc1cccc2cccc(Nc3ccccc3)c12
Show InChI InChI=1S/C16H13NO4S/c18-22(19,20)21-15-11-5-7-12-6-4-10-14(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 2.00E+3n/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Binding affinity to human L-FABP


J Med Chem 51: 3755-64 (2008)


Article DOI: 10.1021/jm701192w
BindingDB Entry DOI: 10.7270/Q2KH0P7G
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Rattus norvegicus (Rat))
BDBM50085047
PNG
(2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl e...)
Show SMILES CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
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n/an/an/a 6.00E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP high affinity site expressed in Escherichia coli BL21(DE3) at 5 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Rattus norvegicus (Rat))
BDBM50085047
PNG
(2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl e...)
Show SMILES CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
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n/an/an/a 6.70E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP high affinity site expressed in Escherichia coli BL21(DE3) at 10 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Rattus norvegicus (Rat))
BDBM50085047
PNG
(2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl e...)
Show SMILES CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
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n/an/an/a 7.30E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP high affinity site expressed in Escherichia coli BL21(DE3) at 15 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Rattus norvegicus (Rat))
BDBM50085047
PNG
(2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl e...)
Show SMILES CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
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n/an/an/a 7.80E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP high affinity site expressed in Escherichia coli BL21(DE3) at 20 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Rattus norvegicus (Rat))
BDBM50085047
PNG
(2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl e...)
Show SMILES CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
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n/an/an/a 8.90E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP high affinity site expressed in Escherichia coli BL21(DE3) at 25 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Rattus norvegicus (Rat))
BDBM50085047
PNG
(2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl e...)
Show SMILES CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
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n/an/an/a 9.60E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP high affinity site expressed in Escherichia coli BL21(DE3) at 30 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Rattus norvegicus (Rat))
BDBM50085047
PNG
(2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl e...)
Show SMILES CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
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n/an/an/a 1.10E+4n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP high affinity site expressed in Escherichia coli BL21(DE3) at 37 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Rattus norvegicus (Rat))
BDBM50085047
PNG
(2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl e...)
Show SMILES CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
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n/an/an/a 1.20E+4n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP high affinity site expressed in Escherichia coli BL21(DE3) at 42 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Rattus norvegicus (Rat))
BDBM28700
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...)
Show SMILES CC(C)(Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)
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n/an/an/a 1.80E+4n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP low affinity site expressed in Escherichia coli BL21(DE3) at 5 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Rattus norvegicus (Rat))
BDBM28700
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...)
Show SMILES CC(C)(Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)
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n/an/an/a 1.90E+4n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP low affinity site expressed in Escherichia coli BL21(DE3) at 10 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Rattus norvegicus (Rat))
BDBM28700
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...)
Show SMILES CC(C)(Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)
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n/an/an/a 2.00E+4n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP low affinity site expressed in Escherichia coli BL21(DE3) at 15 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Rattus norvegicus (Rat))
BDBM28700
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...)
Show SMILES CC(C)(Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)
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n/an/an/a 2.30E+4n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP low affinity site expressed in Escherichia coli BL21(DE3) at 20 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Rattus norvegicus (Rat))
BDBM28700
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...)
Show SMILES CC(C)(Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)
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n/an/an/a 2.40E+4n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP low affinity site expressed in Escherichia coli BL21(DE3) at 25 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Rattus norvegicus (Rat))
BDBM28700
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...)
Show SMILES CC(C)(Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)
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n/an/an/a 2.70E+4n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP low affinity site expressed in Escherichia coli BL21(DE3) at 30 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Rattus norvegicus (Rat))
BDBM28700
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...)
Show SMILES CC(C)(Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)
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n/an/an/a 2.80E+4n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP low affinity site expressed in Escherichia coli BL21(DE3) at 37 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Rattus norvegicus (Rat))
BDBM28700
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...)
Show SMILES CC(C)(Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)
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n/an/an/a 2.90E+4n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP low affinity site expressed in Escherichia coli BL21(DE3) at 42 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Homo sapiens (Human))
BDBM50534542
PNG
(CHEMBL391815)
Show SMILES C(Nc1ccccn1)c1ccccc1
Show InChI InChI=1S/C12H12N2/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13-12/h1-9H,10H2,(H,13,14)
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n/an/an/a 3.00E+5n/an/an/an/an/a



Takeda Cambridge

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human N-terminal His6 and Avi-tagged FABP1 expressed in Escherichia coli NEB cells by surface plasmon resonance metho...


J Med Chem 59: 8094-102 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00869
BindingDB Entry DOI: 10.7270/Q2W099D6
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Homo sapiens (Human))
BDBM50534540
PNG
(CHEMBL4532670)
Show SMILES O=C(N1CCN(Cc2ccc3OCOc3c2)CC1)c1ccco1
Show InChI InChI=1S/C17H18N2O4/c20-17(15-2-1-9-21-15)19-7-5-18(6-8-19)11-13-3-4-14-16(10-13)23-12-22-14/h1-4,9-10H,5-8,11-12H2
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n/an/an/a 4.00E+5n/an/an/an/an/a



Takeda Cambridge

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human N-terminal His6 and Avi-tagged FABP1 expressed in Escherichia coli NEB cells by surface plasmon resonance metho...


J Med Chem 59: 8094-102 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00869
BindingDB Entry DOI: 10.7270/Q2W099D6
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Homo sapiens (Human))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/an/a 9.00E+5n/an/an/an/an/a



Takeda Cambridge

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human N-terminal His6 and Avi-tagged FABP1 expressed in Escherichia coli NEB cells by surface plasmon resonance metho...


J Med Chem 59: 8094-102 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00869
BindingDB Entry DOI: 10.7270/Q2W099D6
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Homo sapiens (Human))
BDBM14324
PNG
(5,6-dimethyl-1H-1,3-benzodiazol-2-amine | Fragment...)
Show SMILES Cc1cc2nc(N)[nH]c2cc1C
Show InChI InChI=1S/C9H11N3/c1-5-3-7-8(4-6(5)2)12-9(10)11-7/h3-4H,1-2H3,(H3,10,11,12)
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n/an/an/a>1.00E+6n/an/an/an/an/a



Takeda Cambridge

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human N-terminal His6 and Avi-tagged FABP1 expressed in Escherichia coli NEB cells by surface plasmon resonance metho...


J Med Chem 59: 8094-102 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00869
BindingDB Entry DOI: 10.7270/Q2W099D6
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Homo sapiens (Human))
BDBM50534537
PNG
(CHEMBL4576559)
Show SMILES Cc1ccccc1CN1CCN(CC1)C(=O)c1cccnc1
Show InChI InChI=1S/C18H21N3O/c1-15-5-2-3-6-17(15)14-20-9-11-21(12-10-20)18(22)16-7-4-8-19-13-16/h2-8,13H,9-12,14H2,1H3
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n/an/an/a>1.00E+6n/an/an/an/an/a



Takeda Cambridge

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human N-terminal His6 and Avi-tagged FABP1 expressed in Escherichia coli NEB cells by surface plasmon resonance metho...


J Med Chem 59: 8094-102 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00869
BindingDB Entry DOI: 10.7270/Q2W099D6
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Homo sapiens (Human))
BDBM50534541
PNG
(CHEMBL4454549)
Show SMILES CS(=O)(=O)N1CCCC(CC1)NCc1ccccc1
Show InChI InChI=1S/C14H22N2O2S/c1-19(17,18)16-10-5-8-14(9-11-16)15-12-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12H2,1H3
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n/an/an/a>1.00E+6n/an/an/an/an/a



Takeda Cambridge

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human N-terminal His6 and Avi-tagged FABP1 expressed in Escherichia coli NEB cells by surface plasmon resonance metho...


J Med Chem 59: 8094-102 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00869
BindingDB Entry DOI: 10.7270/Q2W099D6
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Homo sapiens (Human))
BDBM50534543
PNG
(CHEMBL4555681)
Show SMILES Fc1ccc2OCCNC(=O)c2c1
Show InChI InChI=1S/C9H8FNO2/c10-6-1-2-8-7(5-6)9(12)11-3-4-13-8/h1-2,5H,3-4H2,(H,11,12)
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n/an/an/a>1.00E+6n/an/an/an/an/a



Takeda Cambridge

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human N-terminal His6 and Avi-tagged FABP1 expressed in Escherichia coli NEB cells by surface plasmon resonance metho...


J Med Chem 59: 8094-102 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00869
BindingDB Entry DOI: 10.7270/Q2W099D6
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Homo sapiens (Human))
BDBM50534544
PNG
(CHEMBL4587123)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C18H20ClN3O2/c1-20-8-10-21(11-9-20)18(24)15-4-7-17(23)22(13-15)12-14-2-5-16(19)6-3-14/h2-7,13H,8-12H2,1H3
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n/an/an/a>1.00E+6n/an/an/an/an/a



Takeda Cambridge

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human N-terminal His6 and Avi-tagged FABP1 expressed in Escherichia coli NEB cells by surface plasmon resonance metho...


J Med Chem 59: 8094-102 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00869
BindingDB Entry DOI: 10.7270/Q2W099D6
More data for this
Ligand-Target Pair
Fatty acid-binding protein, liver


(Homo sapiens (Human))
BDBM50534539
PNG
(CHEMBL4454723)
Show SMILES COC(=O)c1cscc1-c1ccc(o1)C(=O)N1CCOCC1
Show InChI InChI=1S/C15H15NO5S/c1-19-15(18)11-9-22-8-10(11)12-2-3-13(21-12)14(17)16-4-6-20-7-5-16/h2-3,8-9H,4-7H2,1H3
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n/an/an/a>1.00E+6n/an/an/an/an/a



Takeda Cambridge

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human N-terminal His6 and Avi-tagged FABP1 expressed in Escherichia coli NEB cells by surface plasmon resonance metho...


J Med Chem 59: 8094-102 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00869
BindingDB Entry DOI: 10.7270/Q2W099D6
More data for this
Ligand-Target Pair