BDBM79896 3-(3-phenyl-1H-pyrazol-5-yl)-4-(2-thenylideneamino)-1H-1,2,4-triazole-5-thione::3-(3-phenyl-1H-pyrazol-5-yl)-4-(thiophen-2-ylmethylideneamino)-1H-1,2,4-triazole-5-thione::5-(5-Phenyl-2H-pyrazol-3-yl)-4-{[1-thiophen-2-yl-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazole-3-thiol::MLS000762716::SMR000438115::cid_1402024

SMILES Cc1[nH]c(/C=C2C(=O)Nc3ccc(C(=O)N[C@H](C)c4ccccc4)cc32)c(C)c1C(=O)NC(C)c1ccco1

InChI Key InChIKey=VKVKLBBLGMJVQO-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 = 79896   

TargetG protein-coupled receptor kinase 5(Human)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 79896BDBM79896(US20250388567, Compound 31)
Affinity DataIC50: 100nMAssay 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

TargetBeta-adrenergic receptor kinase 1(Bovine)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 79896BDBM79896(US20250388567, Compound 31)
Affinity DataIC50: 5.50E+3nMAssay 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