BDBM42049 4-(8-Fluoro-5H-pyrimido[5,4-b]indol-4-yl)-piperazine-1-carboxylic acid ethyl ester::4-(8-fluoro-5H-pyrimid[5,4-b]indol-4-yl)piperazine-1-carboxylic acid ethyl ester::4-(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)-1-piperazinecarboxylic acid ethyl ester::MLS000555912::SMR000147429::cid_919665::ethyl 4-(8-fluoranyl-5H-pyrimido[5,4-b]indol-4-yl)piperazine-1-carboxylate::ethyl 4-(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)piperazine-1-carboxylate

SMILES COC[C@@H]1N(CCN(C1)C1=NC=CC=C1)C1=NC=C(C=N1)/C=C/C=1C=NC=2N(C1)C=C(N2)C

InChI Key InChIKey=VRAMQXNVVSJLFN-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 = 42049   

TargetAlpha-synuclein(Human)
8932 Hightail Drive

WIPO
LigandChemical structure of BindingDB Monomer ID 42049BDBM42049((R,E)-6-(2-(2-(2-(methoxymethyl)-4-(pyridin-2-yl)p...)
Affinity DataKi:  1.40nMAssay 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 42049BDBM42049((R,E)-6-(2-(2-(2-(methoxymethyl)-4-(pyridin-2-yl)p...)
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