Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1-antitrypsin' and Ligand = 'BDBM629183'   

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)	BDBM629183 (US20230339915, Compound 22) Show SMILES CC(C)c1c([C@H]2C[C@@](C)(C2)C(O)=O)c2c(F)c(O)c(F)cc2n1-c1ccc(F)c(C)c1 |r,wU:5.4,7.7,wD:7.10,(3.97,1.3,;3.18,-.02,;3.94,-1.36,;1.64,-.01,;.73,1.23,;1.23,2.69,;.46,4.02,;1.79,4.79,;1.04,6.14,;2.56,3.46,;3.15,5.52,;4.47,4.73,;3.16,7.06,;-.73,.76,;-2.07,1.53,;-2.07,3.07,;-3.4,.76,;-4.75,1.5,;-3.4,-.78,;-4.7,-1.61,;-2.07,-1.55,;-.73,-.78,;.73,-1.26,;1.23,-2.72,;.24,-3.9,;.77,-5.35,;2.28,-5.61,;2.8,-7.06,;3.38,-4.41,;4.9,-4.66,;2.74,-2.98,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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