Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Alpha-1-antitrypsin | ||
Ligand | BDBM629217 | ||
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: |
| ||
BDBM629217 | |||
n/a | |||
Name | BDBM629217 | ||
Synonyms: | US20230339915, Compound 145 | ||
Type | Small organic molecule | ||
Emp. Form. | C23H24FNO3 | ||
Mol. Mass. | 381.44 | ||
SMILES | CC(C)c1c([C@H]2C[C@@H](C2)C(O)=O)c2cc(O)ccc2n1-c1ccc(F)c(C)c1 |r,wU:5.4,wD:7.9,(3.97,1.15,;3.17,-.17,;3.92,-1.52,;1.63,-.18,;.73,1.07,;1.23,2.52,;.46,3.86,;1.79,4.63,;2.56,3.29,;2.3,6.08,;3.81,6.37,;1.29,7.24,;-.74,.59,;-2.07,1.36,;-3.4,.59,;-4.76,1.32,;-3.4,-.95,;-2.07,-1.72,;-.74,-.95,;.73,-1.43,;1.22,-2.88,;.22,-4.05,;.73,-5.5,;2.24,-5.79,;2.75,-7.24,;3.25,-4.62,;4.76,-4.91,;2.74,-3.17,)| | ||
Structure |