Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with Target = 'Fatty acid-binding protein, liver' and Ligand = 'BDBM28700'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Fatty acid-binding protein, liver (Homo sapiens (Human))	BDBM28700 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University					Assay Description A solution of the L-FABP (500 nM) and ANS (35 µM) was titrated with phytanic acid (0-6.4 µM) or fenofibrate (0-6 µM for the rat L-FABP...				Biochemistry 52: 9347-57 (2013) Article DOI: 10.1021/bi401014k BindingDB Entry DOI: 10.7270/Q2FB51MG
					More data for this Ligand-Target Pair
Fatty acid-binding protein, liver (Rattus norvegicus (Rat))	BDBM28700 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	334	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FABP high binding affinity site expressed in Escherichia coli BL21 by co...				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))	BDBM28700 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University					Assay Description A solution of the L-FABP (500 nM) and ANS (35 µM) was titrated with phytanic acid (0-6.4 µM) or fenofibrate (0-6 µM for the rat L-FABP...				Biochemistry 52: 9347-57 (2013) Article DOI: 10.1021/bi401014k BindingDB Entry DOI: 10.7270/Q2FB51MG
					More data for this Ligand-Target Pair
Fatty acid-binding protein, liver (Rattus norvegicus (Rat))	BDBM28700 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.75E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FABP low binding affinity site expressed in Escherichia coli BL21 by com...				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))	BDBM28700 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	220	n/a	n/a	n/a	n/a	n/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))	BDBM28700 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a	n/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))	BDBM28700 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a	n/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))	BDBM28700 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	94	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	360	n/a	n/a	n/a	n/a	n/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))	BDBM28700 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	420	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	340	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/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