BDBM72045 5-Bromo-6-oxo-6H-pyran-3-carboxylic acid (2-hydroxy-1,1-bis-hydroxymethyl-ethyl)-amide::5-bromanyl-N-[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]-6-oxidanylidene-pyran-3-carboxamide::5-bromo-N-(2-hydroxy-1,1-dimethylol-ethyl)-6-keto-pyran-3-carboxamide::5-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-oxo-3-pyrancarboxamide::5-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-oxopyran-3-carboxamide::MLS000557874::SMR000148590::cid_5105752

SMILES OCC(CO)(CO)NC(=O)c1coc(=O)c(Br)c1

InChI Key InChIKey=MMDWOLAPTCFKCS-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 3 hits for monomerid = 72045   

TargetCyclin-dependent kinase 6(Human)
California Institute Of Technology

US Patent
LigandChemical structure of BindingDB Monomer ID 72045BDBM72045(US12486280, Compound A20)
Affinity DataKi:  550nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/14/2026
Entry Details PCBioAssay
TargetPotassium voltage-gated channel subfamily H member 2(Human)
California Institute Of Technology

US Patent
LigandChemical structure of BindingDB Monomer ID 72045BDBM72045(US12486280, Compound A20)
Affinity DataKi:  3.69E+3nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/14/2026
Entry Details PCBioAssay
TargetCyclin-dependent kinase 4(Human)
California Institute Of Technology

US Patent
LigandChemical structure of BindingDB Monomer ID 72045BDBM72045(US12486280, Compound A20)
Affinity DataIC50: 3.24E+4nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/14/2026
Entry Details PCBioAssay