Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1-antitrypsin' and Ligand = 'BDBM629236'   

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)	BDBM629236 (1-(4-fluoro-3-methyl-phenyl)-2-isopropyl-3-[3-(2H-...) Show SMILES CC(C)c1c([C@@H]2C[C@@H](C2)c2nn[nH]n2)c2cc(O)ccc2n1-c1ccc(F)c(C)c1 |r,wU:7.9,5.4,(3.92,-2.17,;3.22,-.8,;4.07,.49,;1.69,-.79,;.78,.46,;1.34,1.89,;2.67,2.66,;1.9,4,;.57,3.23,;2.44,5.44,;1.54,6.68,;2.44,7.93,;3.91,7.45,;3.91,5.91,;-.68,-.02,;-2.02,.75,;-3.35,-.02,;-4.67,.77,;-3.35,-1.56,;-2.02,-2.33,;-.68,-1.56,;.78,-2.03,;1.22,-3.51,;.17,-4.64,;.63,-6.11,;2.13,-6.45,;2.57,-7.93,;3.17,-5.32,;4.67,-5.68,;2.72,-3.85,)| 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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