Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1-antitrypsin' and Ligand = 'BDBM629200'   

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)	BDBM629200 (US20230339915, Compound 78) Show SMILES CC(C)c1c([C@@H]2C[C@@H](C2)C(O)=O)c2cc(O)ccc2n1-c1ccc(F)c(Cl)c1 |r,wU:5.4,7.9,(3.97,1.16,;3.18,-.16,;3.92,-1.51,;1.64,-.18,;.73,1.07,;1.22,2.53,;2.55,3.3,;1.78,4.63,;.45,3.86,;2.24,6.1,;3.73,6.47,;1.19,7.23,;-.73,.59,;-2.07,1.36,;-3.4,.59,;-4.74,1.35,;-3.4,-.95,;-2.07,-1.72,;-.73,-.95,;.73,-1.43,;1.22,-2.89,;.23,-4.07,;.76,-5.51,;2.28,-5.78,;2.79,-7.23,;3.26,-4.6,;4.74,-4.88,;2.74,-3.15,)| 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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