BDBM72260 2-[[2-[[7-chloro-3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid ethyl ester::2-[[2-[[7-chloro-3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid ethyl ester::MLS000335149::SMR000249907::cid_5177776::ethyl 2-[2-[7-chloranyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate::ethyl 2-[[2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate

SMILES CCOC(=O)c1c(C)c(sc1NC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1)C(=O)N(C)C

InChI Key InChIKey=MKNXWHGPDGQXLS-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 3 hits for monomerid = 72260   

LigandChemical structure of BindingDB Monomer ID 72260BDBM72260(5-(4-((3-(3-(4-chloro-3-ethyl-1H-pyrrolo [2, 3-b] ...)
Affinity DataIC50: 5.70nMAssay 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:
4/15/2026
Entry Details PCBioAssay
LigandChemical structure of BindingDB Monomer ID 72260BDBM72260(5-(4-((3-(3-(4-chloro-3-ethyl-1H-pyrrolo [2, 3-b] ...)
Affinity DataIC50: 15.7nMAssay 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:
4/15/2026
Entry Details PCBioAssay
TargetAurora kinase A(Human)
BioFront

US Patent
LigandChemical structure of BindingDB Monomer ID 72260BDBM72260(5-(4-((3-(3-(4-chloro-3-ethyl-1H-pyrrolo [2, 3-b] ...)
Affinity DataIC50: 110nMAssay 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:
4/15/2026
Entry Details PCBioAssay