Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Alpha-1-antitrypsin | ||
Ligand | BDBM629220 | ||
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: |
| ||
BDBM629220 | |||
n/a | |||
Name | BDBM629220 | ||
Synonyms: | 6-(1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-(trifluoromethyl)-1H-indol-3-yl)spiro[3.3]heptane-2-carboxylic acid (150) | US20230339915, Compound 150 | ||
Type | Small organic molecule | ||
Emp. Form. | C23H23F2NO3 | ||
Mol. Mass. | 399.4304 | ||
SMILES | CC(C)c1c(C2CC(F)(C2)C(O)=O)c2cc(O)ccc2n1-c1ccc(F)c(C)c1 |w:4.4,7.10,(3.97,1.35,;3.18,.03,;3.93,-1.32,;1.64,.02,;.73,1.27,;1.2,2.73,;.43,4.07,;1.77,4.84,;1.08,6.21,;2.54,3.5,;3.15,5.52,;4.43,4.66,;3.15,7.05,;-.73,.79,;-2.06,1.56,;-3.4,.79,;-4.76,1.51,;-3.4,-.75,;-2.06,-1.52,;-.73,-.75,;.73,-1.22,;1.22,-2.69,;.22,-3.85,;.73,-5.31,;2.24,-5.59,;2.73,-7.05,;3.25,-4.42,;4.76,-4.71,;2.73,-2.97,)| | ||
Structure |