Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Fatty acid-binding protein, brain' and Ligand = 'BDBM489726'   

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, brain (Homo sapiens)	BDBM489726 (US10968163, Compound 3s) Show SMILES [O-]C(=O)C1C(C(C1c1ccccc1)C(=O)OC1CCCCC1)c1ccccc1 |(-.73,-7.04,;.04,-5.71,;-.73,-4.38,;1.58,-5.71,;2.67,-4.62,;3.76,-5.71,;2.67,-6.8,;2.67,-8.34,;4,-9.11,;4,-10.65,;2.67,-11.42,;1.33,-10.65,;1.33,-9.11,;5.3,-5.71,;6.07,-7.04,;6.07,-4.38,;7.61,-4.38,;8.38,-3.04,;9.92,-3.04,;10.69,-4.38,;9.92,-5.71,;8.38,-5.71,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,)| Show InChI InChI=1S/C24H26O4/c25-23(26)21-19(16-10-4-1-5-11-16)22(20(21)17-12-6-2-7-13-17)24(27)28-18-14-8-3-9-15-18/h1-2,4-7,10-13,18-22H,3,8-9,14-15H2,(H,25,26)/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Research Foundation for the State University of New York US Patent					Assay Description FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...				US Patent US10968163 (2021) BindingDB Entry DOI: 10.7270/Q2ST7SZR
					More data for this Ligand-Target Pair