BDBM42068 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [2-(4-chloro-2-nitro-anilino)-2-keto-ethyl] ester::4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [2-(4-chloro-2-nitroanilino)-2-oxoethyl] ester::MLS000389072::SMR000255246::[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate::[2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate::cid_4350340

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

InChI Key InChIKey=ZRTFNFNZSJOQOW-UHFFFAOYSA-N

Data  4 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 = 42068   

TargetAlpha-synuclein(Human)
8932 Hightail Drive

WIPO
LigandChemical structure of BindingDB Monomer ID 42068BDBM42068((R,E)-5-(2-(6-(1H-imidazol-1-yl)pyridin-3-yl)vinyl...)
Affinity DataKi:  1nMAssay Description:Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...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 42068BDBM42068((R,E)-5-(2-(6-(1H-imidazol-1-yl)pyridin-3-yl)vinyl...)
Affinity DataKi:  180nMAssay Description:Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2026
Entry Details
WIPO WO2024186584