Reaction Details | |||
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Target | Alpha-1-antitrypsin | ||
Ligand | BDBM629219 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Biochemical Assay (Z-AAT Elastase Activity Assay) | ||
IC50 | 3500±n/a nM | ||
Citation | GIROUX, S; CLARK, MP; TANG, Q; NUHANT, PM; JONES, P; MESSERSMITH, D; BANDARAGE, UK; COTTRELL, KM; BRODNEY, MA; FLEMING, GS; WANG, J; XU, J; DANIEL, KB; BOYD, MJ; MORRIS, MA; WAAL, ND; COLLIER, PN; KESAVAN, S; RONKIN, SM; DENG, H; BOUCHER, DM; FANNING, LT; HALL, AB; HURLEY, DJ; JOHNSON, Jr., MA; MAXWELL, JP; SWETT, RJ; TAPLEY, TL; THOMSON, SA; DAMAGNEZ, V MODULATORS OF ALPHA-1 ANTITRYPSIN US Patent US20230339915 Publication Date 10/26/2023 | ||
More Info.: | Get all data from this article, Assay Method | ||
Alpha-1-antitrypsin | |||
Name: | Alpha-1-antitrypsin | ||
Synonyms: | Alpha-1 protease inhibitor | Alpha-1-antiproteinase | Serpin A1 | ||
Type: | Protein | ||
Mol. Mass.: | 46727.42 | ||
Organism: | Human | ||
Description: | P01009 | ||
Residue: | 418 | ||
Sequence: |
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BDBM629219 | |||
n/a | |||
Name | BDBM629219 | ||
Synonyms: | US20230339915, Compound 149 | ||
Type | Small organic molecule | ||
Emp. Form. | C26H27F2NO3 | ||
Mol. Mass. | 439.4943 | ||
SMILES | CC(C)c1c(C2CC3(C2)C[C@](F)(C3)C(O)=O)c2cc(O)ccc2n1-c1ccc(F)c(C)c1 |r,wU:10.11,wD:10.14,(-1.64,2.1,;-.87,.77,;-1.64,-.56,;.67,.77,;1.58,-.48,;1.1,-1.94,;1.8,-3.31,;.43,-4.01,;-.27,-2.64,;-.94,-4.71,;-.24,-6.08,;-1.62,-6.78,;1.13,-5.38,;.46,-7.46,;-.38,-8.75,;1.99,-7.54,;3.04,-0,;4.38,-.77,;5.71,-0,;7.04,-.77,;5.71,1.54,;4.38,2.31,;3.04,1.54,;1.58,2.02,;1.1,3.48,;2.13,4.62,;1.66,6.09,;.15,6.41,;-.32,7.87,;-.88,5.26,;-2.39,5.58,;-.4,3.8,)| | ||
Structure |