Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1-antitrypsin' and Ligand = 'BDBM629234'   

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)	BDBM629234 (3-[1-(4-fluoro-3-methyl-phenyl)-5-hydroxy-2-isopro...) Show SMILES CC(C)c1c([C@@H]2C[C@@H](C2)C#N)c2cc(O)ccc2n1-c1ccc(F)c(C)c1 |r,wU:5.4,7.9,(4.22,.79,;3.17,-.34,;4.25,-1.44,;1.63,-.32,;.73,.93,;1.22,2.38,;2.56,3.15,;1.76,4.56,;.45,3.72,;2.13,6.05,;2.5,7.55,;-.74,.45,;-2.07,1.22,;-3.4,.45,;-4.76,1.17,;-3.4,-1.09,;-2.07,-1.86,;-.74,-1.09,;.73,-1.57,;1.23,-3.02,;.23,-4.19,;.74,-5.64,;2.25,-5.93,;2.74,-7.39,;3.25,-4.76,;4.76,-5.07,;2.75,-3.31,)| 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
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