BDBM72263 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-(2-isopropyl-6-methyl-anilino)-2-keto-ethyl] ester::3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] ester::MLS000374514::SMR000242430::[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate::[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate::cid_2402288

SMILES O=C1CCC(N2Cc3ccc(N4CCC(CN5CCCN(c6cccc(-c7cnc8[nH]cc(C9CC9)c8c7Cl)c6)C5=O)CC4)cc3C2=O)C(=O)N1

InChI Key InChIKey=YNDSYKJYBHNLNQ-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 = 72263   

LigandChemical structure of BindingDB Monomer ID 72263BDBM72263(3-[6-(4-{[3-(3-{4-chloro-3-cyclopropyl-1H-pyrrolo ...)
Affinity DataIC50: 13.6nMAssay 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
US Patent

LigandChemical structure of BindingDB Monomer ID 72263BDBM72263(3-[6-(4-{[3-(3-{4-chloro-3-cyclopropyl-1H-pyrrolo ...)
Affinity DataIC50: 20.8nMAssay 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
US Patent

TargetAurora kinase A(Human)
BioFront

US Patent
LigandChemical structure of BindingDB Monomer ID 72263BDBM72263(3-[6-(4-{[3-(3-{4-chloro-3-cyclopropyl-1H-pyrrolo ...)
Affinity DataIC50: 21.2nMAssay 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
US Patent