Reaction Details | |||
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Target | Alpha-1-antitrypsin | ||
Ligand | BDBM629194 | ||
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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BDBM629194 | |||
n/a | |||
Name | BDBM629194 | ||
Synonyms: | US20230339915, Compound 63 | ||
Type | Small organic molecule | ||
Emp. Form. | C24H26FNO3 | ||
Mol. Mass. | 395.4665 | ||
SMILES | CC(C)c1c([C@@H]2C[C@H](CC(O)=O)C2)c2cc(O)ccc2n1-c1ccc(F)c(C)c1 |r,wU:5.4,7.7,(3.97,.79,;3.17,-.53,;3.92,-1.88,;1.63,-.54,;.73,.71,;1.21,2.17,;2.54,2.94,;1.77,4.28,;2.19,5.76,;3.69,6.13,;4.76,5.02,;4.11,7.61,;.44,3.51,;-.74,.23,;-2.07,1,;-3.4,.23,;-4.76,.96,;-3.4,-1.31,;-2.07,-2.08,;-.74,-1.31,;.73,-1.78,;1.2,-3.25,;.19,-4.42,;.7,-5.87,;2.22,-6.16,;2.73,-7.61,;3.22,-4.99,;4.72,-5.33,;2.71,-3.54,)| | ||
Structure |