Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1-antitrypsin' and Ligand = 'BDBM629220'   

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
Alpha-1-antitrypsin (Human)	BDBM629220 (6-(1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-(triflu...) Show SMILES CC(C)c1c(C2CC(F)(C2)C(O)=O)c2cc(O)ccc2n1-c1ccc(F)c(C)c1 |w:4.4,7.10,(3.97,1.35,;3.18,.03,;3.93,-1.32,;1.64,.02,;.73,1.27,;1.2,2.73,;.43,4.07,;1.77,4.84,;1.08,6.21,;2.54,3.5,;3.15,5.52,;4.43,4.66,;3.15,7.05,;-.73,.79,;-2.06,1.56,;-3.4,.79,;-4.76,1.51,;-3.4,-.75,;-2.06,-1.52,;-.73,-.75,;.73,-1.22,;1.22,-2.69,;.22,-3.85,;.73,-5.31,;2.24,-5.59,;2.73,-7.05,;3.25,-4.42,;4.76,-4.71,;2.73,-2.97,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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