Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1-antitrypsin' and Ligand = 'BDBM629204'   

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)	BDBM629204 (US20230339915, Compound 90) Show SMILES CC(C)c1c([C@@H]2C[C@@H](C2)C(O)=O)c2c(F)c(O)ccc2n1-c1ccc(F)c(C)c1 |r,wU:5.4,7.9,(3.96,1.17,;3.19,-.17,;3.96,-1.5,;1.65,-.17,;.74,1.08,;1.21,2.55,;2.55,3.32,;1.78,4.65,;.44,3.88,;2.22,6.12,;3.72,6.47,;1.17,7.25,;-.72,.6,;-2.06,1.37,;-2.06,2.91,;-3.39,.6,;-4.74,1.34,;-3.39,-.94,;-2.06,-1.71,;-.72,-.94,;.74,-1.41,;1.25,-2.87,;.23,-4.02,;.72,-5.48,;2.23,-5.78,;2.71,-7.25,;3.25,-4.63,;4.74,-5,;2.76,-3.17,)| 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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