BDBM42421 2-[[[2-(4-chlorophenyl)-5-methyl-3-pyrazolyl]amino]methylidene]propanedioic acid diethyl ester::2-[[[2-(4-chlorophenyl)-5-methyl-pyrazol-3-yl]amino]methylene]malonic acid diethyl ester::MLS000541363::SMR000126221::cid_3849628::diethyl 2-({[1-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-yl]amino}methylene)malonate::diethyl 2-[[[2-(4-chlorophenyl)-5-methyl-pyrazol-3-yl]amino]methylidene]propanedioate::diethyl 2-[[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]amino]methylidene]propanedioate

SMILES C=CC(=O)N1CCc2nn(-c3ccc(C4CCC4)c(F)c3)c3c2C(C1)N(C(=O)c1cnc(C(F)(F)F)c(O)c1)CC3

InChI Key InChIKey=NVARRWMJOCLJGV-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 42421   

LigandChemical structure of BindingDB Monomer ID 42421BDBM42421(1-(2-(4-cyclobutyl-3- fluorophenyl)-5-(5- hydroxy-...)
Affinity DataIC50: 1.5nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2026
Entry Details
US Patent

LigandChemical structure of BindingDB Monomer ID 42421BDBM42421(1-(2-(4-cyclobutyl-3- fluorophenyl)-5-(5- hydroxy-...)
Affinity DataIC50: 10nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2026
Entry Details
US Patent