Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Alpha-1-antitrypsin | ||
Ligand | BDBM629215 | ||
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: |
| ||
BDBM629215 | |||
n/a | |||
Name | BDBM629215 | ||
Synonyms: | 6-(1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-(trifluoromethyl)-1H-indol-3-yl)spiro[3.3]heptane-2-carboxylic acid (140) | US20230339915, Compound 140 | ||
Type | Small organic molecule | ||
Emp. Form. | C24H21F4NO3 | ||
Mol. Mass. | 447.4221 | ||
SMILES | Cc1cc(ccc1F)-n1c(c(C2CC3(CC(C3)C(O)=O)C2)c2cc(O)ccc12)C(F)(F)F |w:15.18,(4.76,-6,;3.25,-5.68,;2.74,-4.23,;1.23,-3.95,;.22,-5.12,;.74,-6.57,;2.25,-6.85,;2.75,-8.31,;.72,-2.49,;1.63,-1.25,;.72,-0,;1.18,1.47,;.41,2.8,;1.74,3.57,;.97,4.91,;2.3,5.68,;3.07,4.34,;2.85,7.12,;4.37,7.37,;1.87,8.31,;2.51,2.24,;-.74,-.48,;-2.08,.29,;-3.41,-.48,;-4.76,.27,;-3.41,-2.02,;-2.08,-2.79,;-.74,-2.02,;3.17,-1.25,;3.94,.08,;4.71,-1.25,;3.92,-2.59,)| | ||
Structure |