Reaction Details | |||
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Target | Alpha-1-antitrypsin | ||
Ligand | BDBM629184 | ||
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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BDBM629184 | |||
n/a | |||
Name | BDBM629184 | ||
Synonyms: | US20230339915, Compound 27 | ||
Type | Small organic molecule | ||
Emp. Form. | C25H25ClFNO4 | ||
Mol. Mass. | 457.922 | ||
SMILES | C[C@@]1(C[C@@H](C1)c1c(C2CCOCC2)n(-c2ccc(F)c(Cl)c2)c2ccc(O)cc12)C(O)=O |r,wU:1.0,3.5,wD:1.33,(-.02,5.72,;1.06,4.62,;-.28,3.85,;.49,2.52,;1.83,3.29,;-.02,1.06,;.89,-.18,;2.43,-.17,;3.2,1.16,;4.74,1.16,;5.51,-.17,;4.74,-1.51,;3.2,-1.51,;-.02,-1.43,;.47,-2.89,;-.52,-4.07,;.01,-5.52,;1.53,-5.78,;2.04,-7.23,;2.52,-4.6,;4.01,-4.99,;1.99,-3.15,;-1.48,-.95,;-2.81,-1.72,;-4.15,-.95,;-4.15,.59,;-5.51,1.31,;-2.81,1.36,;-1.48,.59,;1.54,6.08,;3.05,6.41,;.52,7.23,)| | ||
Structure |