Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Fatty acid-binding protein, brain' and Ligand = 'BDBM635771'   

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)	BDBM635771 (US20230365488, Compound 2b) Show SMILES OC(=O)C1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Oc1cc(ccc1C#N)-c1ccccc1)c1ccccc1 |r,wU:4.33,5.14,wD:6.7,(-5.91,-3.3,;-4.37,-3.3,;-3.6,-4.63,;-3.6,-1.96,;-2.11,-1.57,;-2.51,-.08,;-4,-.48,;-5.33,.29,;-5.33,1.83,;-6.66,2.6,;-8,1.83,;-8,.29,;-6.66,-.48,;-1.74,1.26,;-2.51,2.59,;-.2,1.26,;.96,2.07,;2.45,1.67,;3.54,2.76,;3.14,4.25,;1.65,4.65,;.47,3.62,;-1.02,4.04,;-2.5,4.45,;5.02,2.36,;5.42,.87,;6.91,.48,;8,1.56,;7.6,3.05,;6.11,3.45,;-.78,-2.34,;-.78,-3.88,;.56,-4.65,;1.89,-3.88,;1.89,-2.34,;.56,-1.57,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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