Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1-antitrypsin' and Ligand = 'BDBM629189'   

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)	BDBM629189 (US20230339915, Compound 57) Show SMILES CC(C)c1c(C2CC3(C[C@@H](C3)C(O)=O)C2)c2cc(O)ccc2n1-c1ccc(F)c(F)c1 |r,wU:9.11,(3.93,.11,;3.16,-1.22,;3.93,-2.56,;1.62,-1.23,;.71,.01,;1.23,1.46,;2.57,2.23,;1.8,3.57,;3.13,4.34,;2.36,5.67,;1.03,4.9,;2.88,7.12,;4.39,7.4,;1.88,8.3,;.46,2.8,;-.75,-.46,;-2.09,.31,;-3.42,-.46,;-4.76,.29,;-3.42,-2,;-2.09,-2.77,;-.75,-2,;.71,-2.48,;1.2,-3.94,;.21,-5.12,;.74,-6.57,;2.26,-6.83,;2.74,-8.3,;3.24,-5.65,;4.76,-5.92,;2.72,-4.2,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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