Reaction Details | |||
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Target | Alpha-1-antitrypsin | ||
Ligand | BDBM629189 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Biochemical Assay (Z-AAT Elastase Activity Assay) | ||
IC50 | <2000±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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BDBM629189 | |||
n/a | |||
Name | BDBM629189 | ||
Synonyms: | US20230339915, Compound 57 | ||
Type | Small organic molecule | ||
Emp. Form. | C25H25F2NO3 | ||
Mol. Mass. | 425.4677 | ||
SMILES | CC(C)c1c(C2CC3(C[C@@H](C3)C(O)=O)C2)c2cc(O)ccc2n1-c1ccc(F)c(F)c1 |r,wU:9.11,(3.93,.11,;3.16,-1.22,;3.93,-2.56,;1.62,-1.23,;.71,.01,;1.23,1.46,;2.57,2.23,;1.8,3.57,;3.13,4.34,;2.36,5.67,;1.03,4.9,;2.88,7.12,;4.39,7.4,;1.88,8.3,;.46,2.8,;-.75,-.46,;-2.09,.31,;-3.42,-.46,;-4.76,.29,;-3.42,-2,;-2.09,-2.77,;-.75,-2,;.71,-2.48,;1.2,-3.94,;.21,-5.12,;.74,-6.57,;2.26,-6.83,;2.74,-8.3,;3.24,-5.65,;4.76,-5.92,;2.72,-4.2,)| | ||
Structure |