BDBM77528 (5-amino-6-chloro-pyrimidin-4-yl)-(2-quinolylmethyleneamino)amine::4-Chloro-6-{N'-[1-quinolin-2-yl-meth-(E)-ylidene]-hydrazino}-pyrimidin-5-ylamine::6-chloranyl-N4-(quinolin-2-ylmethylideneamino)pyrimidine-4,5-diamine::6-chloro-4-N-(quinolin-2-ylmethylideneamino)pyrimidine-4,5-diamine::6-chloro-N4-(2-quinolinylmethylideneamino)pyrimidine-4,5-diamine::MLS000331921::SMR000221378::cid_4889643

SMILES C[C@]12CC/C(=C\CCC(=O)O)CC1[C@H](O)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12

InChI Key InChIKey=NVRMSVDYDJZLET-UHFFFAOYSA-N

Data  1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 77528   

TargetSodium/potassium-transporting ATPase subunit alpha-1(Dog)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 77528BDBM77528((E)-4-(6beta-hydroxy-17-oxoandrostane-3-yliden)but...)
Affinity DataIC50: 1.00E+5nMAssay 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:
5/4/2026
Entry Details
US Patent