BDBM39580 2-[1,3-benzodioxol-5-yl(2-thiophen-2-ylethanoyl)amino]-N-cyclohexyl-2-(1-methylpyrrol-2-yl)ethanamide::2-[1,3-benzodioxol-5-yl-(1-oxo-2-thiophen-2-ylethyl)amino]-N-cyclohexyl-2-(1-methyl-2-pyrrolyl)acetamide::2-[1,3-benzodioxol-5-yl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-(1-methylpyrrol-2-yl)acetamide::2-[1,3-benzodioxol-5-yl-[2-(2-thienyl)acetyl]amino]-N-cyclohexyl-2-(1-methylpyrrol-2-yl)acetamide::2-[Benzo[1,3]dioxol-5-yl-(2-thiophen-2-yl-acetyl)-amino]-N-cyclohexyl-2-(1-methyl-1H-pyrrol-2-yl)-acetamide::MLS000068913::SMR000003675::cid_652452

SMILES CCN(C1=N/C(=C\c2ccc3c(c2)OCO3)C(=O)N1)c1ccccc1

InChI Key InChIKey=OKBRSHSCBXYHHB-UHFFFAOYSA-N

Data  1 IC50  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 = 39580   

TargetDual specificity protein kinase CLK1 [129-484](Human)
Shanghai East Hospital

US Patent
LigandChemical structure of BindingDB Monomer ID 39580BDBM39580(TJU-B182 | (Z)-5-(benzo[d][1,3]dioxol-5-ylmethylen...)
Affinity DataIC50: 550nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2026
Entry Details
US Patent

TargetDual specificity tyrosine-phosphorylation-regulated kinase 1A(Human)
Shanghai East Hospital

US Patent
LigandChemical structure of BindingDB Monomer ID 39580BDBM39580(TJU-B182 | (Z)-5-(benzo[d][1,3]dioxol-5-ylmethylen...)
Affinity DataIC50: 550nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2026
Entry Details
US Patent

TargetGlycogen synthase kinase-3 beta(Human)
Shanghai East Hospital

US Patent
LigandChemical structure of BindingDB Monomer ID 39580BDBM39580(TJU-B182 | (Z)-5-(benzo[d][1,3]dioxol-5-ylmethylen...)
Affinity DataIC50: 1.00E+4nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2026
Entry Details
US Patent