Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1-antitrypsin' and Ligand = 'BDBM629182'   

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)	BDBM629182 (US20230339915, Compound 17) Show SMILES Cc1cc(ccc1F)-n1c(C2CCOCC2)c([C@H]2C[C@@](C)(C2)C(O)=O)c2cc(O)ccc12 |r,wU:19.21,17.18,wD:19.24,(4.03,-4.74,;2.52,-4.42,;2,-2.98,;.48,-2.71,;-.51,-3.89,;.02,-5.34,;1.54,-5.61,;2.02,-7.07,;-.02,-1.25,;.89,-.01,;2.43,0,;3.2,1.33,;4.74,1.33,;5.51,0,;4.74,-1.33,;3.2,-1.33,;-.02,1.24,;.45,2.7,;-.32,4.04,;1.02,4.81,;.3,6.17,;1.79,3.47,;2.38,5.53,;3.68,4.71,;2.4,7.07,;-1.48,.76,;-2.81,1.53,;-4.15,.76,;-5.51,1.48,;-4.15,-.78,;-2.81,-1.55,;-1.48,-.78,)| 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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