Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Fatty acid-binding protein, intestinal' and Ligand = 'BDBM50085041'   

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, intestinal (Homo sapiens (Human))	BDBM50085041 (2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...) Show SMILES CCCc1c(O)c(ccc1OCCCOc1ccc(OCC(O)=O)cc1)C(C)=O Show InChI InChI=1S/C22H26O7/c1-3-5-19-20(11-10-18(15(2)23)22(19)26)28-13-4-12-27-16-6-8-17(9-7-16)29-14-21(24)25/h6-11,26H,3-5,12-14H2,1-2H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	7.20E+3	n/a	n/a	n/a	8.0	37
Monash University					Assay Description ITC experiments were carried out using an iTC200 microcalorimeter (MicroCal) with coin shaped sample cell (200 μL) at 37 C with stirring at 1000...				ACS Chem Biol 9: 2526-34 (2014) Article DOI: 10.1021/cb5005178 BindingDB Entry DOI: 10.7270/Q2348J4C
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