BDBM79472 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-keto-1-methyl-2-(4-propylphenyl)ethyl] ester::5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [1-oxo-1-(4-propylphenyl)propan-2-yl] ester::SR-02000000314::SR-02000000314-1::[1-oxidanylidene-1-(4-propylphenyl)propan-2-yl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate::[1-oxo-1-(4-propylphenyl)propan-2-yl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate::cid_3368676

SMILES O=C(N1CC2CC(C1)N2CCO)N1CCC2C[C@H]1c1cc(-c3ccc(C(F)(F)F)cc3)ccc12

InChI Key InChIKey=LNFSOUFUSKJYTA-UHFFFAOYSA-N

Data  1 EC50

  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 1 hit for monomerid = 79472   

TargetSigma intracellular receptor 2(Human)
University of Texas System

US Patent
LigandChemical structure of BindingDB Monomer ID 79472BDBM79472(US20250387403, Example Table1.45)
Affinity DataKi:  62.9nMAssay 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