BDBM72945 MLS001233847::N-(4-acetamidophenyl)-2-[(6-bromanyl-2-oxidanyl-naphthalen-1-yl)methyl-ethyl-amino]ethanamide::N-(4-acetamidophenyl)-2-[(6-bromo-2-hydroxy-1-naphthalenyl)methyl-ethylamino]acetamide::N-(4-acetamidophenyl)-2-[(6-bromo-2-hydroxy-1-naphthyl)methyl-ethyl-amino]acetamide::N-(4-acetamidophenyl)-2-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl-ethylamino]acetamide::SMR000591417::cid_2621036

SMILES CCNC(=O)N[C@@H]3CC[C@@H](N(C)c1ncnc2[nH]ccc12)CC3

InChI Key InChIKey=NZCAELJCGDLEBT-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 72945   

TargetTyrosine-protein kinase JAK1(Human)
ChemWerth

US Patent
LigandChemical structure of BindingDB Monomer ID 72945BDBM72945(1-ethyl-3-((1r,4r)-4-(methyl(7H- pyrrolo[2,3-d]pyr...)
Affinity DataIC50: 43nMAssay 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:
4/20/2026
Entry Details
US Patent

TargetTyrosine-protein kinase JAK2(Human)
ChemWerth

US Patent
LigandChemical structure of BindingDB Monomer ID 72945BDBM72945(1-ethyl-3-((1r,4r)-4-(methyl(7H- pyrrolo[2,3-d]pyr...)
Affinity DataIC50: 126nMAssay 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:
4/20/2026
Entry Details
US Patent

TargetTyrosine-protein kinase JAK3(Human)
ChemWerth

US Patent
LigandChemical structure of BindingDB Monomer ID 72945BDBM72945(1-ethyl-3-((1r,4r)-4-(methyl(7H- pyrrolo[2,3-d]pyr...)
Affinity DataIC50: 447nMAssay 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:
4/20/2026
Entry Details
US Patent

TargetNon-receptor tyrosine-protein kinase TYK2(Human)
ChemWerth

US Patent
LigandChemical structure of BindingDB Monomer ID 72945BDBM72945(1-ethyl-3-((1r,4r)-4-(methyl(7H- pyrrolo[2,3-d]pyr...)
Affinity DataIC50: 1.79E+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:
4/20/2026
Entry Details
US Patent