BDBM42039 (5-methoxycarbonylfuran-2-yl)methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate::(5-methoxycarbonylfuran-2-yl)methyl 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate::4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (5-carbomethoxy-2-furyl)methyl ester::4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (5-methoxycarbonyl-2-furanyl)methyl ester::MLS000055094::SMR000066727::cid_2110030

SMILES N1(C=NC=C1)C1=CC=C(C=N1)/C=C/C=1C=NC(=NC1)N1[C@H](CN(CC1)C1=NC=NC(=C1)F)COC

InChI Key InChIKey=QOGPCCHEQXERHZ-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 42039   

TargetAlpha-synuclein(Human)
8932 Hightail Drive

WIPO
LigandChemical structure of BindingDB Monomer ID 42039BDBM42039((R,E)-5-(2-(6-(1H-imidazol-1-yl)pyridin-3-yl)vinyl...)
Affinity DataKi:  1nMAssay Description:The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2026
Entry Details
WIPO WO2024186584

TargetAmyloid-beta precursor protein(Human)
8932 Hightail Drive

WIPO
LigandChemical structure of BindingDB Monomer ID 42039BDBM42039((R,E)-5-(2-(6-(1H-imidazol-1-yl)pyridin-3-yl)vinyl...)
Affinity DataKi:  1.20E+4nMAssay Description:The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2026
Entry Details
WIPO WO2024186584