Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Fatty acid-binding protein 5' and Ligand = 'BDBM50468474'   

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 5 (Homo sapiens (Human))	BDBM50468474 (CHEMBL4293553 | US10968163, Compound 3d) Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)OCc1ccc(Br)cc1)c1ccccc1 |r,wU:4.26,5.14,wD:3.2,6.7,(59,-19.53,;57.51,-19.13,;57.11,-17.65,;56.42,-20.22,;54.88,-20.22,;54.88,-21.76,;56.42,-21.76,;57.51,-22.85,;57.1,-24.34,;58.19,-25.43,;59.68,-25.03,;60.08,-23.53,;58.99,-22.45,;53.79,-22.85,;52.3,-22.45,;54.19,-24.34,;53.1,-25.43,;51.61,-25.03,;51.22,-23.54,;49.73,-23.14,;48.64,-24.23,;47.15,-23.83,;49.05,-25.72,;50.53,-26.11,;53.79,-19.13,;54.19,-17.65,;53.1,-16.56,;51.62,-16.96,;51.22,-18.46,;52.31,-19.54,)| Show InChI InChI=1S/C25H21BrO4/c26-19-13-11-16(12-14-19)15-30-25(29)23-20(17-7-3-1-4-8-17)22(24(27)28)21(23)18-9-5-2-6-10-18/h1-14,20-23H,15H2,(H,27,28)/t20-,21-,22-,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	160	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
Fatty acid-binding protein 5 (Homo sapiens (Human))	BDBM50468474 (CHEMBL4293553 | US10968163, Compound 3d) Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)OCc1ccc(Br)cc1)c1ccccc1 |r,wU:4.26,5.14,wD:3.2,6.7,(59,-19.53,;57.51,-19.13,;57.11,-17.65,;56.42,-20.22,;54.88,-20.22,;54.88,-21.76,;56.42,-21.76,;57.51,-22.85,;57.1,-24.34,;58.19,-25.43,;59.68,-25.03,;60.08,-23.53,;58.99,-22.45,;53.79,-22.85,;52.3,-22.45,;54.19,-24.34,;53.1,-25.43,;51.61,-25.03,;51.22,-23.54,;49.73,-23.14,;48.64,-24.23,;47.15,-23.83,;49.05,-25.72,;50.53,-26.11,;53.79,-19.13,;54.19,-17.65,;53.1,-16.56,;51.62,-16.96,;51.22,-18.46,;52.31,-19.54,)| Show InChI InChI=1S/C25H21BrO4/c26-19-13-11-16(12-14-19)15-30-25(29)23-20(17-7-3-1-4-8-17)22(24(27)28)21(23)18-9-5-2-6-10-18/h1-14,20-23H,15H2,(H,27,28)/t20-,21-,22-,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Displacement of DAUDA from recombinant human N-terminal His-tagged FABP5 expressed in Escherichia coli BL21(DE3) after 20 mins by fluorescence assay				Eur J Med Chem 154: 233-252 (2018) Article DOI: 10.1016/j.ejmech.2018.04.050 BindingDB Entry DOI: 10.7270/Q2ZK5KC1
					More data for this Ligand-Target Pair