Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for entry = 50043918   

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))	BDBM50448435 (CHEMBL3122088) 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)/p-1/b7-6-,10-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	6.85E+3	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Binding affinity to human FABP3 expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance analysis				Bioorg Med Chem 22: 1804-8 (2014) Article DOI: 10.1016/j.bmc.2014.02.001 BindingDB Entry DOI: 10.7270/Q2SJ1N49
					More data for this Ligand-Target Pair
Fatty acid-binding protein, heart (Homo sapiens (Human))	BDBM50448436 (CHEMBL3122087) Show SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCC([O-])=O Show InChI InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/p-1/b4-3-,7-6-,10-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Binding affinity to human FABP3 expressed in Escherichia coli BL21 (DE3) in DMPC liposomes by surface plasmon resonance analysis				Bioorg Med Chem 22: 1804-8 (2014) Article DOI: 10.1016/j.bmc.2014.02.001 BindingDB Entry DOI: 10.7270/Q2SJ1N49
					More data for this Ligand-Target Pair
Fatty acid-binding protein, heart (Homo sapiens (Human))	BDBM50448435 (CHEMBL3122088) 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)/p-1/b7-6-,10-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Binding affinity to human FABP3 expressed in Escherichia coli BL21 (DE3) in DMPC liposomes by surface plasmon resonance analysis				Bioorg Med Chem 22: 1804-8 (2014) Article DOI: 10.1016/j.bmc.2014.02.001 BindingDB Entry DOI: 10.7270/Q2SJ1N49
					More data for this Ligand-Target Pair
Fatty acid-binding protein, heart (Homo sapiens (Human))	BDBM50448437 (CHEMBL3122151 | Oleate) 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)/p-1/b10-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	159	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Binding affinity to human FABP3 expressed in Escherichia coli BL21 (DE3) at 10 uM in DMPC liposomes by surface plasmon resonance analysis				Bioorg Med Chem 22: 1804-8 (2014) Article DOI: 10.1016/j.bmc.2014.02.001 BindingDB Entry DOI: 10.7270/Q2SJ1N49
					More data for this Ligand-Target Pair
Fatty acid-binding protein, heart (Homo sapiens (Human))	BDBM50448438 (CHEMBL3122153) 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)/p-1/b10-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Binding affinity to human FABP3 expressed in Escherichia coli BL21 (DE3) at 10 uM in DMPC liposomes by surface plasmon resonance analysis				Bioorg Med Chem 22: 1804-8 (2014) Article DOI: 10.1016/j.bmc.2014.02.001 BindingDB Entry DOI: 10.7270/Q2SJ1N49
					More data for this Ligand-Target Pair
Fatty acid-binding protein, heart (Homo sapiens (Human))	BDBM50448440 (CHEMBL1235508) Show SMILES CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC |r| Show InChI InChI=1S/C36H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-33H2,1-5H3/p+1/t34-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Binding affinity to human FABP3 expressed in Escherichia coli BL21 (DE3) at 60 uM by surface plasmon resonance analysis				Bioorg Med Chem 22: 1804-8 (2014) Article DOI: 10.1016/j.bmc.2014.02.001 BindingDB Entry DOI: 10.7270/Q2SJ1N49
					More data for this Ligand-Target Pair
Fatty acid-binding protein, heart (Homo sapiens (Human))	BDBM50448437 (CHEMBL3122151 | Oleate) 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)/p-1/b10-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.33E+4	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Binding affinity to human FABP3 expressed in Escherichia coli BL21 (DE3) at 60 uM by surface plasmon resonance analysis				Bioorg Med Chem 22: 1804-8 (2014) Article DOI: 10.1016/j.bmc.2014.02.001 BindingDB Entry DOI: 10.7270/Q2SJ1N49
					More data for this Ligand-Target Pair
Fatty acid-binding protein, heart (Homo sapiens (Human))	BDBM50448438 (CHEMBL3122153) 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)/p-1/b10-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.59E+5	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Binding affinity to human FABP3 expressed in Escherichia coli BL21 (DE3) at 60 uM by surface plasmon resonance analysis				Bioorg Med Chem 22: 1804-8 (2014) Article DOI: 10.1016/j.bmc.2014.02.001 BindingDB Entry DOI: 10.7270/Q2SJ1N49
					More data for this Ligand-Target Pair
Fatty acid-binding protein, heart (Homo sapiens (Human))	BDBM50448439 (CHEMBL3122152) Show SMILES CCCCCCCCCCC\C=C/CCCCC([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/h12-13H,2-11,14-17H2,1H3,(H,19,20)/p-1/b13-12-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5.42E+4	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Binding affinity to human FABP3 expressed in Escherichia coli BL21 (DE3) at 60 uM by surface plasmon resonance analysis				Bioorg Med Chem 22: 1804-8 (2014) Article DOI: 10.1016/j.bmc.2014.02.001 BindingDB Entry DOI: 10.7270/Q2SJ1N49
					More data for this Ligand-Target Pair
Fatty acid-binding protein, heart (Homo sapiens (Human))	BDBM50429933 (CHEMBL2334255 | US10709688, Example 2) Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(n1)-c1ccc(Br)cc1 Show InChI InChI=1S/C25H21BrN2O3/c26-19-12-14-20(15-13-19)28-23(18-7-2-1-3-8-18)17-22(27-28)21-9-4-5-10-24(21)31-16-6-11-25(29)30/h1-5,7-10,12-15,17H,6,11,16H2,(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	2.11E+3	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Binding affinity to human FABP3 expressed in Escherichia coli BL21 (DE3) at 16 uM by surface plasmon resonance analysis				Bioorg Med Chem 22: 1804-8 (2014) Article DOI: 10.1016/j.bmc.2014.02.001 BindingDB Entry DOI: 10.7270/Q2SJ1N49
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty acid-binding protein, heart (Homo sapiens (Human))	BDBM50448439 (CHEMBL3122152) Show SMILES CCCCCCCCCCC\C=C/CCCCC([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/h12-13H,2-11,14-17H2,1H3,(H,19,20)/p-1/b13-12-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	401	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Binding affinity to human FABP3 expressed in Escherichia coli BL21 (DE3) at 10 uM in DMPC liposomes by surface plasmon resonance analysis				Bioorg Med Chem 22: 1804-8 (2014) Article DOI: 10.1016/j.bmc.2014.02.001 BindingDB Entry DOI: 10.7270/Q2SJ1N49
					More data for this Ligand-Target Pair