Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1-antitrypsin' and Ligand = 'BDBM629199'   

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)	BDBM629199 (US20230339915, Compound 77) Show SMILES CC(C)c1c([C@H]2C[C@@H](C2)C(O)=O)c2cc(O)ccc2n1-c1ccc(F)c(Cl)c1 |r,wU:5.4,wD:7.9,(3.99,1.15,;3.19,-.17,;3.95,-1.51,;1.65,-.18,;.75,1.07,;1.24,2.53,;.47,3.86,;1.81,4.63,;2.58,3.3,;2.29,6.09,;3.8,6.42,;1.27,7.25,;-.72,.59,;-2.05,1.36,;-3.38,.59,;-4.74,1.32,;-3.38,-.95,;-2.05,-1.72,;-.72,-.95,;.75,-1.42,;1.25,-2.88,;.25,-4.04,;.76,-5.5,;2.27,-5.78,;2.76,-7.25,;3.27,-4.62,;4.74,-4.97,;2.77,-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
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