Reaction Details | |||
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Target | Alpha-1-antitrypsin | ||
Ligand | BDBM629208 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Biochemical Assay (Z-AAT Elastase Activity Assay) | ||
IC50 | >5000±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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BDBM629208 | |||
n/a | |||
Name | BDBM629208 | ||
Synonyms: | US20230339915, Compound 99 | ||
Type | Small organic molecule | ||
Emp. Form. | C26H28FNO4 | ||
Mol. Mass. | 437.5032 | ||
SMILES | Cc1cc(ccc1F)-n1c(C2CCOCC2)c([C@H]2C[C@@](C)(C2)C(O)=O)c2cc(O)ccc12 |r,wU:17.18,19.21,wD:19.24,(3.98,-4.73,;2.47,-4.45,;1.96,-3,;.44,-2.71,;-.56,-3.88,;-.05,-5.34,;1.46,-5.62,;1.94,-7.08,;-.05,-1.25,;.86,-.01,;2.4,0,;3.15,-1.35,;4.73,-1.35,;5.53,0,;4.73,1.32,;3.19,1.32,;-.05,1.24,;.43,2.7,;-.27,4.07,;1.1,4.77,;.33,6.11,;1.8,3.4,;2.44,5.54,;3.77,4.77,;2.44,7.08,;-1.51,.76,;-2.84,1.53,;-4.18,.76,;-5.53,1.51,;-4.18,-.78,;-2.84,-1.55,;-1.51,-.78,)| | ||
Structure |