Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1-antitrypsin' and Ligand = 'BDBM629196'   

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)	BDBM629196 (US20230339915, Compound 69) Show SMILES CC(C)c1c([C@@H]2C[C@@H](C2)C(O)=O)c2cc(O)c(F)cc2n1-c1ccc(F)c(C)c1 |r,wU:5.4,7.9,(3.99,1.13,;3.2,-.19,;3.95,-1.53,;1.66,-.18,;.75,1.07,;1.23,2.53,;2.57,3.3,;1.8,4.64,;.46,3.87,;2.31,6.09,;3.83,6.37,;1.32,7.26,;-.71,.59,;-2.05,1.36,;-3.38,.59,;-4.75,1.3,;-3.38,-.95,;-4.69,-1.76,;-2.05,-1.72,;-.71,-.95,;.75,-1.42,;1.23,-2.89,;.21,-4.04,;.7,-5.5,;2.21,-5.8,;2.72,-7.26,;3.37,-4.67,;4.88,-4.96,;2.74,-3.19,)| 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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