Reaction Details | |||
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Target | Alpha-1-antitrypsin | ||
Ligand | BDBM629196 | ||
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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BDBM629196 | |||
n/a | |||
Name | BDBM629196 | ||
Synonyms: | US20230339915, Compound 69 | ||
Type | Small organic molecule | ||
Emp. Form. | C23H23F2NO3 | ||
Mol. Mass. | 399.4304 | ||
SMILES | CC(C)c1c([C@@H]2C[C@@H](C2)C(O)=O)c2cc(O)c(F)cc2n1-c1ccc(F)c(C)c1 |r,wU:5.4,7.9,(3.99,1.13,;3.2,-.19,;3.95,-1.53,;1.66,-.18,;.75,1.07,;1.23,2.53,;2.57,3.3,;1.8,4.64,;.46,3.87,;2.31,6.09,;3.83,6.37,;1.32,7.26,;-.71,.59,;-2.05,1.36,;-3.38,.59,;-4.75,1.3,;-3.38,-.95,;-4.69,-1.76,;-2.05,-1.72,;-.71,-.95,;.75,-1.42,;1.23,-2.89,;.21,-4.04,;.7,-5.5,;2.21,-5.8,;2.72,-7.26,;3.37,-4.67,;4.88,-4.96,;2.74,-3.19,)| | ||
Structure |