BDBM77556 1-(1H-benzimidazol-2-ylmethyl)-3-[4-(difluoromethoxy)phenyl]thiourea::1-(1H-benzimidazol-2-ylmethyl)-3-[4-[bis(fluoranyl)methoxy]phenyl]thiourea::MLS001005874::SMR000349029::cid_4122039

SMILES C[C@]12CC[C@H](CCC3CNC3)CC1[C@@H](CO)C(=O)C1C2CC[C@]2(C)C(=O)CCC12

InChI Key InChIKey=HSCACEVUJCFZMQ-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 77556   

TargetSodium/potassium-transporting ATPase subunit alpha-1(Dog)
Seismic Pharmaceuticals

US Patent
LigandChemical structure of BindingDB Monomer ID 77556BDBM77556((3S,6S,10R,13S)-3-(2-(azetidin-3-yl)ethyl)-6-(hydr...)
Affinity DataIC50: 3.50E+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:
5/4/2026
Entry Details
US Patent