BDBM72947 (E)-1-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-3-(6-methoxy-2-naphthalenyl)-2-propen-1-one::(E)-1-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]-3-(6-methoxy-2-naphthyl)prop-2-en-1-one::(E)-1-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-3-(6-methoxynaphthalen-2-yl)prop-2-en-1-one::(E)-1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(6-methoxynaphthalen-2-yl)prop-2-en-1-one::MLS001176399::SMR000594757::cid_16306084

SMILES COc1ccc2cc(\C=C\C(=O)N3CCN(CC(=O)N4CCCCCC4)CC3)ccc2c1

InChI Key InChIKey=YMTPWQVFHBKZGE-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 = 72947   

TargetTyrosine-protein kinase JAK1(Human)
ChemWerth

US Patent
LigandChemical structure of BindingDB Monomer ID 72947BDBM72947(1-isopropyl-3-((1r,4r)-4- (methyl(7H-pyrrolo[2,3- ...)
Affinity DataIC50: 40nMAssay 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 PCBioAssay
TargetTyrosine-protein kinase JAK2(Human)
ChemWerth

US Patent
LigandChemical structure of BindingDB Monomer ID 72947BDBM72947(1-isopropyl-3-((1r,4r)-4- (methyl(7H-pyrrolo[2,3- ...)
Affinity DataIC50: 134nMAssay 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 PCBioAssay
TargetTyrosine-protein kinase JAK3(Human)
ChemWerth

US Patent
LigandChemical structure of BindingDB Monomer ID 72947BDBM72947(1-isopropyl-3-((1r,4r)-4- (methyl(7H-pyrrolo[2,3- ...)
Affinity DataIC50: 615nMAssay 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 PCBioAssay
TargetNon-receptor tyrosine-protein kinase TYK2(Human)
ChemWerth

US Patent
LigandChemical structure of BindingDB Monomer ID 72947BDBM72947(1-isopropyl-3-((1r,4r)-4- (methyl(7H-pyrrolo[2,3- ...)
Affinity DataIC50: 2.71E+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 PCBioAssay