Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1-antitrypsin' and Ligand = 'BDBM629225'   

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)	BDBM629225 (US20230339915, Compound 170) Show SMILES CC(C)c1c(-c2ccc(cc2C)C(O)=O)c2cc(O)ccc2n1-c1ccc(F)c(C)c1 |(3.98,.74,;3.18,-.58,;3.93,-1.92,;1.64,-.58,;.74,.66,;1.22,2.12,;2.74,2.41,;3.24,3.87,;2.23,5.03,;.72,4.74,;.22,3.29,;-1.29,2.95,;2.76,6.48,;4.28,6.75,;1.77,7.66,;-.73,.19,;-2.06,.96,;-3.39,.19,;-4.75,.92,;-3.39,-1.35,;-2.06,-2.12,;-.73,-1.35,;.74,-1.83,;1.25,-3.28,;.23,-4.44,;.73,-5.9,;2.24,-6.2,;2.73,-7.66,;3.25,-5.04,;4.75,-5.42,;2.76,-3.58,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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