Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Fatty acid-binding protein, brain' and Ligand = 'BDBM635745'   

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)	BDBM635745 (US20230365488, Compound 1c) Show SMILES OC(=O)[C@@H]1C([C@H]([C@@H]1c1ccccc1)C(=O)Oc1cccc(c1)-c1ccc2OCOc2c1)c1ccccc1 |r,wU:6.7,3.2,wD:5.14,(-6.79,-3.35,;-6.79,-1.81,;-8.12,-1.04,;-5.46,-1.04,;-3.97,-1.44,;-3.57,.05,;-5.06,.45,;-5.83,1.78,;-5.06,3.12,;-5.83,4.45,;-7.37,4.45,;-8.14,3.12,;-7.37,1.78,;-2.24,.82,;-.9,.05,;-2.24,2.36,;-.9,3.13,;-.9,4.67,;.43,5.44,;1.77,4.67,;1.77,3.13,;.43,2.36,;3.1,2.36,;3.1,.82,;4.43,.05,;5.77,.82,;7.23,.34,;8.14,1.59,;7.23,2.84,;5.77,2.36,;4.43,3.13,;-3.2,-2.77,;-3.97,-4.11,;-3.2,-5.44,;-1.66,-5.44,;-.89,-4.11,;-1.66,-2.77,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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