BDBM83335 4-(2-phenoxyethyl)-1-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]-4-piperidinecarboxylic acid ethyl ester::4-(2-phenoxyethyl)-1-[[1-(3-pyridyl)pyrrol-2-yl]methyl]isonipecotic acid ethyl ester::MLS000735146::SMR000319360::cid_16188233::ethyl 4-(2-phenoxyethyl)-1-[(1-pyridin-3-yl-1H-pyrrol-2-yl)methyl]piperidine-4-carboxylate::ethyl 4-(2-phenoxyethyl)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidine-4-carboxylate

SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2cnc(NC(=O)[C@@H]3CCCN3)nc21

InChI Key InChIKey=PWCMZCSGGQBVFY-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 83335   

TargetMembrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83335BDBM83335(US20250388583, Compound 593)
Affinity DataIC50: 50nMAssay Description:Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2026
Entry Details
US Patent

TargetTyrosine-protein kinase Lck(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83335BDBM83335(US20250388583, Compound 593)
Affinity DataIC50: 550nMAssay Description:Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2026
Entry Details
US Patent