Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50045468   

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, heart (Homo sapiens (Human))	BDBM50063855 (CHEMBL3400905) Show SMILES CC(C)c1cc(C(C)C)c(C(O)=O)c(c1)C(C)C Show InChI InChI=1S/C16H24O2/c1-9(2)12-7-13(10(3)4)15(16(17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of FABP4 (unknown origin) relative to linoleic acid				Eur J Med Chem 90: 241-50 (2015) Article DOI: 10.1016/j.ejmech.2014.11.020 BindingDB Entry DOI: 10.7270/Q29K4CXF
					More data for this Ligand-Target Pair
Fatty acid-binding protein, heart (Homo sapiens (Human))	BDBM50063854 (CHEMBL3400157) Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(O)(=O)=O Show InChI InChI=1S/C15H24O3S/c1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of FABP4 (unknown origin) relative to linoleic acid				Eur J Med Chem 90: 241-50 (2015) Article DOI: 10.1016/j.ejmech.2014.11.020 BindingDB Entry DOI: 10.7270/Q29K4CXF
					More data for this Ligand-Target Pair
Fatty acid-binding protein, heart (Homo sapiens (Human))	BDBM22231 ((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-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of FABP3 (unknown origin) relative to linoleic acid				Eur J Med Chem 90: 241-50 (2015) Article DOI: 10.1016/j.ejmech.2014.11.020 BindingDB Entry DOI: 10.7270/Q29K4CXF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty acid-binding protein, heart (Homo sapiens (Human))	BDBM22231 ((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-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of FABP4 (unknown origin) relative to linoleic acid				Eur J Med Chem 90: 241-50 (2015) Article DOI: 10.1016/j.ejmech.2014.11.020 BindingDB Entry DOI: 10.7270/Q29K4CXF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50063855 (CHEMBL3400905) Show SMILES CC(C)c1cc(C(C)C)c(C(O)=O)c(c1)C(C)C Show InChI InChI=1S/C16H24O2/c1-9(2)12-7-13(10(3)4)15(16(17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of FABP4 (unknown origin)				Eur J Med Chem 90: 241-50 (2015) Article DOI: 10.1016/j.ejmech.2014.11.020 BindingDB Entry DOI: 10.7270/Q29K4CXF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty acid-binding protein, heart (Homo sapiens (Human))	BDBM50063855 (CHEMBL3400905) Show SMILES CC(C)c1cc(C(C)C)c(C(O)=O)c(c1)C(C)C Show InChI InChI=1S/C16H24O2/c1-9(2)12-7-13(10(3)4)15(16(17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of FABP3 (unknown origin) relative to linoleic acid				Eur J Med Chem 90: 241-50 (2015) Article DOI: 10.1016/j.ejmech.2014.11.020 BindingDB Entry DOI: 10.7270/Q29K4CXF
					More data for this Ligand-Target Pair
Fatty acid-binding protein, heart (Homo sapiens (Human))	BDBM50063854 (CHEMBL3400157) Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(O)(=O)=O Show InChI InChI=1S/C15H24O3S/c1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of FABP3 (unknown origin) relative to linoleic acid				Eur J Med Chem 90: 241-50 (2015) Article DOI: 10.1016/j.ejmech.2014.11.020 BindingDB Entry DOI: 10.7270/Q29K4CXF
					More data for this Ligand-Target Pair
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50063854 (CHEMBL3400157) Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(O)(=O)=O Show InChI InChI=1S/C15H24O3S/c1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of FABP4 (unknown origin)				Eur J Med Chem 90: 241-50 (2015) Article DOI: 10.1016/j.ejmech.2014.11.020 BindingDB Entry DOI: 10.7270/Q29K4CXF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50063859 (CHEMBL3400890) Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)n1cnc2ccc(Br)cc12 Show InChI InChI=1S/C22H27BrN2O2S/c1-13(2)16-9-18(14(3)4)22(19(10-16)15(5)6)28(26,27)25-12-24-20-8-7-17(23)11-21(20)25/h7-15H,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of FABP4 (unknown origin)				Eur J Med Chem 90: 241-50 (2015) Article DOI: 10.1016/j.ejmech.2014.11.020 BindingDB Entry DOI: 10.7270/Q29K4CXF
					More data for this Ligand-Target Pair
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50063851 (CHEMBL3400896) Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)n1c(C)nc2cc(Cl)ccc12 Show InChI InChI=1S/C23H29ClN2O2S/c1-13(2)17-10-19(14(3)4)23(20(11-17)15(5)6)29(27,28)26-16(7)25-21-12-18(24)8-9-22(21)26/h8-15H,1-7H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of FABP4 (unknown origin)				Eur J Med Chem 90: 241-50 (2015) Article DOI: 10.1016/j.ejmech.2014.11.020 BindingDB Entry DOI: 10.7270/Q29K4CXF
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 (Homo sapiens (Human))	BDBM50063854 (CHEMBL3400157) Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(O)(=O)=O Show InChI InChI=1S/C15H24O3S/c1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of FABP5 (unknown origin)				Eur J Med Chem 90: 241-50 (2015) Article DOI: 10.1016/j.ejmech.2014.11.020 BindingDB Entry DOI: 10.7270/Q29K4CXF
					More data for this Ligand-Target Pair
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50063856 (CHEMBL3400883) Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)n1ccnc1 Show InChI InChI=1S/C18H26N2O2S/c1-12(2)15-9-16(13(3)4)18(17(10-15)14(5)6)23(21,22)20-8-7-19-11-20/h7-14H,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of FABP4 (unknown origin)				Eur J Med Chem 90: 241-50 (2015) Article DOI: 10.1016/j.ejmech.2014.11.020 BindingDB Entry DOI: 10.7270/Q29K4CXF
					More data for this Ligand-Target Pair
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM22231 ((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-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of FABP4 (unknown origin)				Eur J Med Chem 90: 241-50 (2015) Article DOI: 10.1016/j.ejmech.2014.11.020 BindingDB Entry DOI: 10.7270/Q29K4CXF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty acid-binding protein 5 (Homo sapiens (Human))	BDBM50063855 (CHEMBL3400905) Show SMILES CC(C)c1cc(C(C)C)c(C(O)=O)c(c1)C(C)C Show InChI InChI=1S/C16H24O2/c1-9(2)12-7-13(10(3)4)15(16(17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of FABP5 (unknown origin)				Eur J Med Chem 90: 241-50 (2015) Article DOI: 10.1016/j.ejmech.2014.11.020 BindingDB Entry DOI: 10.7270/Q29K4CXF
					More data for this Ligand-Target Pair
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50063858 (CHEMBL3400889) Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)n1c(C)nc2ccc(Br)cc12 Show InChI InChI=1S/C23H29BrN2O2S/c1-13(2)17-10-19(14(3)4)23(20(11-17)15(5)6)29(27,28)26-16(7)25-21-9-8-18(24)12-22(21)26/h8-15H,1-7H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of FABP4 (unknown origin)				Eur J Med Chem 90: 241-50 (2015) Article DOI: 10.1016/j.ejmech.2014.11.020 BindingDB Entry DOI: 10.7270/Q29K4CXF
					More data for this Ligand-Target Pair
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50063857 (CHEMBL3400885) Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)n1c(C)nc2ccccc12 Show InChI InChI=1S/C23H30N2O2S/c1-14(2)18-12-19(15(3)4)23(20(13-18)16(5)6)28(26,27)25-17(7)24-21-10-8-9-11-22(21)25/h8-16H,1-7H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of FABP4 (unknown origin)				Eur J Med Chem 90: 241-50 (2015) Article DOI: 10.1016/j.ejmech.2014.11.020 BindingDB Entry DOI: 10.7270/Q29K4CXF
					More data for this Ligand-Target Pair
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50063852 (CHEMBL3400903) Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)n1cnc2ccc(N)cc12 Show InChI InChI=1S/C22H29N3O2S/c1-13(2)16-9-18(14(3)4)22(19(10-16)15(5)6)28(26,27)25-12-24-20-8-7-17(23)11-21(20)25/h7-15H,23H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of FABP4 (unknown origin)				Eur J Med Chem 90: 241-50 (2015) Article DOI: 10.1016/j.ejmech.2014.11.020 BindingDB Entry DOI: 10.7270/Q29K4CXF
					More data for this Ligand-Target Pair
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50063853 (CHEMBL3400904) Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(N)(=O)=O Show InChI InChI=1S/C15H25NO2S/c1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H2,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of FABP4 (unknown origin)				Eur J Med Chem 90: 241-50 (2015) Article DOI: 10.1016/j.ejmech.2014.11.020 BindingDB Entry DOI: 10.7270/Q29K4CXF
					More data for this Ligand-Target Pair