Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Fatty acid-binding protein, brain' and Ligand = 'BDBM635786'   

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)	BDBM635786 (US20230365488, Compound 3c) Show SMILES OC(=O)[C@@H]1C([C@@H]([C@H]1c1ccccc1)C(=O)OCc1ccccc1-c1ccccc1)c1ccccc1 |r,wU:3.2,5.14,wD:6.7,(-4.94,-3.35,;-4.94,-1.81,;-6.27,-1.04,;-3.6,-1.04,;-2.12,-1.44,;-1.72,.05,;-3.2,.45,;-3.97,1.78,;-3.2,3.12,;-3.97,4.45,;-5.51,4.45,;-6.28,3.12,;-5.51,1.78,;-.38,.82,;-.38,2.36,;.95,.05,;2.28,.82,;3.62,.05,;3.62,-1.49,;4.95,-2.26,;6.28,-1.49,;6.28,.05,;4.95,.82,;4.95,2.36,;6.28,3.13,;6.28,4.67,;4.95,5.44,;3.62,4.67,;3.62,3.13,;-1.35,-2.77,;-2.12,-4.11,;-1.35,-5.44,;.19,-5.44,;.96,-4.11,;.19,-2.77,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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