Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1-antitrypsin' and Ligand = 'BDBM629206'   

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)	BDBM629206 (US20230339915, Compound 95) Show SMILES CC(C)c1c([C@H]2C[C@@](C)(C2)C(O)=O)c2cc(O)ccc2n1-c1ccc(F)c(C)c1 |r,wU:5.4,7.7,wD:7.10,(3.97,1.28,;3.18,-.04,;3.93,-1.38,;1.64,-.03,;.73,1.22,;1.22,2.68,;.45,4.01,;1.78,4.78,;1.03,6.13,;2.55,3.45,;3.12,5.55,;4.44,4.75,;3.12,7.09,;-.73,.74,;-2.07,1.51,;-3.4,.74,;-4.77,1.44,;-3.4,-.8,;-2.07,-1.57,;-.73,-.8,;.73,-1.27,;1.23,-2.73,;.25,-3.91,;.77,-5.35,;2.29,-5.62,;2.75,-7.09,;3.28,-4.44,;4.77,-4.81,;2.75,-2.99,)| 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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