Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1-antitrypsin' and Ligand = 'BDBM629180'   

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)	BDBM629180 (US20230339915, Compound 9) Show SMILES Cc1cc(ccc1F)-n1c(C2CCOCC2)c([C@H]2C[C@@](C2)(C(O)=O)C(F)(F)F)c2cc(O)ccc12 |r,wU:17.18,19.26,wD:19.23,(-2.44,5.92,;-.94,5.6,;-.46,4.14,;1.05,3.82,;2.08,4.96,;1.6,6.43,;.1,6.75,;-.38,8.21,;1.52,2.36,;.62,1.11,;-.92,1.11,;-1.69,-.22,;-3.23,-.22,;-4,1.11,;-3.23,2.44,;-1.69,2.44,;1.52,-.14,;1.05,-1.6,;1.75,-2.97,;.37,-3.67,;-.32,-2.3,;-.8,-4.67,;-.52,-6.19,;-2.25,-4.16,;.73,-5.17,;1.09,-6.67,;.14,-6.59,;2.23,-4.81,;2.99,.34,;4.32,-.43,;5.65,.34,;6.99,-.43,;5.65,1.88,;4.32,2.65,;2.99,1.88,)| 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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