Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Alpha-1-antitrypsin | ||
Ligand | BDBM629206 | ||
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: |
| ||
BDBM629206 | |||
n/a | |||
Name | BDBM629206 | ||
Synonyms: | US20230339915, Compound 95 | ||
Type | Small organic molecule | ||
Emp. Form. | C24H26FNO3 | ||
Mol. Mass. | 395.4665 | ||
SMILES | CC(C)c1c([C@H]2C[C@@](C)(C2)C(O)=O)c2cc(O)ccc2n1-c1ccc(F)c(C)c1 |r,wU:5.4,7.7,wD:7.10,(3.97,1.28,;3.18,-.04,;3.93,-1.38,;1.64,-.03,;.73,1.22,;1.22,2.68,;.45,4.01,;1.78,4.78,;1.03,6.13,;2.55,3.45,;3.12,5.55,;4.44,4.75,;3.12,7.09,;-.73,.74,;-2.07,1.51,;-3.4,.74,;-4.77,1.44,;-3.4,-.8,;-2.07,-1.57,;-.73,-.8,;.73,-1.27,;1.23,-2.73,;.25,-3.91,;.77,-5.35,;2.29,-5.62,;2.75,-7.09,;3.28,-4.44,;4.77,-4.81,;2.75,-2.99,)| | ||
Structure |