Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Fatty acid-binding protein, brain' and Ligand = 'BDBM50468473'   

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)	BDBM50468473 (CHEMBL4276753) Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccc(O)cc1)C(=O)Oc1cccc2ccccc12)c1ccc(O)cc1 |r,wU:4.30,5.15,wD:3.2,6.7,(52.68,-21.81,;51.19,-21.41,;50.79,-19.93,;50.1,-22.5,;48.56,-22.5,;48.56,-24.04,;50.1,-24.04,;51.19,-25.13,;50.79,-26.62,;51.87,-27.71,;53.36,-27.31,;54.45,-28.4,;53.76,-25.81,;52.67,-24.73,;47.47,-25.13,;45.99,-24.73,;47.87,-26.62,;46.78,-27.71,;45.3,-27.3,;44.21,-28.39,;44.61,-29.88,;46.1,-30.27,;46.5,-31.74,;47.98,-32.14,;49.06,-31.04,;48.66,-29.57,;47.19,-29.19,;47.47,-21.41,;47.87,-19.93,;46.79,-18.85,;45.3,-19.24,;44.21,-18.16,;44.9,-20.74,;45.99,-21.82,)| Show InChI InChI=1S/C28H22O6/c29-19-12-8-17(9-13-19)23-25(27(31)32)24(18-10-14-20(30)15-11-18)26(23)28(33)34-22-7-3-5-16-4-1-2-6-21(16)22/h1-15,23-26,29-30H,(H,31,32)/t23-,24-,25-,26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.06E+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 ANS from recombinant human N-terminal His-tagged FABP7 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
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