Reaction Details | |||
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Target | Alpha-1-antitrypsin | ||
Ligand | BDBM629182 | ||
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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BDBM629182 | |||
n/a | |||
Name | BDBM629182 | ||
Synonyms: | US20230339915, Compound 17 | ||
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:19.21,17.18,wD:19.24,(4.03,-4.74,;2.52,-4.42,;2,-2.98,;.48,-2.71,;-.51,-3.89,;.02,-5.34,;1.54,-5.61,;2.02,-7.07,;-.02,-1.25,;.89,-.01,;2.43,0,;3.2,1.33,;4.74,1.33,;5.51,0,;4.74,-1.33,;3.2,-1.33,;-.02,1.24,;.45,2.7,;-.32,4.04,;1.02,4.81,;.3,6.17,;1.79,3.47,;2.38,5.53,;3.68,4.71,;2.4,7.07,;-1.48,.76,;-2.81,1.53,;-4.15,.76,;-5.51,1.48,;-4.15,-.78,;-2.81,-1.55,;-1.48,-.78,)| | ||
Structure |