Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1-antitrypsin' and Ligand = 'BDBM629184'   

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)	BDBM629184 (US20230339915, Compound 27) Show SMILES C[C@@]1(C[C@@H](C1)c1c(C2CCOCC2)n(-c2ccc(F)c(Cl)c2)c2ccc(O)cc12)C(O)=O |r,wU:1.0,3.5,wD:1.33,(-.02,5.72,;1.06,4.62,;-.28,3.85,;.49,2.52,;1.83,3.29,;-.02,1.06,;.89,-.18,;2.43,-.17,;3.2,1.16,;4.74,1.16,;5.51,-.17,;4.74,-1.51,;3.2,-1.51,;-.02,-1.43,;.47,-2.89,;-.52,-4.07,;.01,-5.52,;1.53,-5.78,;2.04,-7.23,;2.52,-4.6,;4.01,-4.99,;1.99,-3.15,;-1.48,-.95,;-2.81,-1.72,;-4.15,-.95,;-4.15,.59,;-5.51,1.31,;-2.81,1.36,;-1.48,.59,;1.54,6.08,;3.05,6.41,;.52,7.23,)| 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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