Reaction Details | |||
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Target | Alpha-1-antitrypsin | ||
Ligand | BDBM629186 | ||
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: |
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BDBM629186 | |||
n/a | |||
Name | BDBM629186 | ||
Synonyms: | US20230339915, Compound 32 | ||
Type | Small organic molecule | ||
Emp. Form. | C27H27ClFNO4 | ||
Mol. Mass. | 483.959 | ||
SMILES | OC(=O)[C@H]1CC2(C1)CC(C2)c1c(C2CCOCC2)n(-c2ccc(F)c(Cl)c2)c2ccc(O)cc12 |r,wU:3.2,(3.6,7.42,;2.08,7.14,;1.08,8.31,;1.57,5.69,;2.34,4.35,;1.01,3.58,;.24,4.92,;-.32,2.81,;.45,1.48,;1.78,2.25,;-.02,.01,;.89,-1.23,;2.43,-1.23,;3.2,.11,;4.74,.11,;5.51,-1.23,;4.74,-2.56,;3.2,-2.56,;-.02,-2.48,;.47,-3.94,;-.53,-5.11,;-.02,-6.56,;1.49,-6.85,;1.97,-8.31,;2.5,-5.68,;3.99,-6.03,;1.98,-4.22,;-1.48,-2,;-2.81,-2.77,;-4.15,-2,;-4.15,-.46,;-5.51,.26,;-2.81,.31,;-1.48,-.46,)| | ||
Structure |