Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1-antitrypsin' and Ligand = 'BDBM629237'   

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)	BDBM629237 (US20230339915, Compound 219) Show SMILES CC(C)c1c([C@@H]2C[C@@H](C2)C(=O)NS(C)(=O)=O)c2cc(O)ccc2n1-c1ccc(F)c(C)c1 |r,wU:5.4,7.9,(3.68,.89,;2.56,-.17,;3.62,-1.29,;1.02,-.18,;.12,1.07,;.61,2.52,;1.95,3.29,;1.18,4.63,;-.16,3.86,;1.69,6.08,;.69,7.25,;3.17,6.51,;4.24,5.41,;5.36,6.47,;5.32,4.31,;3.47,4.08,;-1.35,.59,;-2.68,1.36,;-4.01,.59,;-5.36,1.34,;-4.01,-.95,;-2.68,-1.72,;-1.35,-.95,;.12,-1.43,;.61,-2.88,;-.39,-4.06,;.13,-5.51,;1.64,-5.79,;2.13,-7.25,;2.64,-4.62,;4.16,-4.91,;2.13,-3.16,)| 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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