Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Fatty acid-binding protein, brain' and Ligand = 'BDBM635733'   

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)	BDBM635733 (US20230365488, Compound 1a) Show SMILES OC(=O)[C@@H]1C([C@H]([C@@H]1c1ccccc1)C(=O)Oc1cc(ccc1C#N)-c1ccccc1)c1ccccc1 |r,wU:6.7,3.2,wD:5.14,(-5.6,-3.73,;-5.6,-2.19,;-6.94,-1.42,;-4.27,-1.42,;-2.78,-1.82,;-2.38,-.34,;-3.87,.06,;-4.64,1.4,;-3.87,2.73,;-4.64,4.06,;-6.18,4.06,;-6.95,2.73,;-6.18,1.4,;-1.05,.43,;.28,-.34,;-1.05,1.97,;.28,2.74,;1.62,1.97,;2.95,2.74,;2.95,4.28,;1.62,5.05,;.24,4.31,;-1.1,5.08,;-2.43,5.85,;4.28,1.97,;4.28,.43,;5.62,-.34,;6.95,.43,;6.95,1.97,;5.62,2.74,;-2.01,-3.16,;-2.78,-4.49,;-2.01,-5.82,;-.47,-5.82,;.3,-4.49,;-.47,-3.16,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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