BDBM39576 1-(1-adamantyl)-3-[8-[[1-(2-furanylmethyl)-5-tetrazolyl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]urea::1-(1-adamantyl)-3-[8-[[1-(2-furfuryl)tetrazol-5-yl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]urea::1-(1-adamantyl)-3-[8-[[1-(furan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]urea::1-(1-adamantyl)-3-[8-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]urea::1-Adamantan-1-yl-3-[8-(1-furan-2-ylmethyl-1H-tetrazol-5-ylmethyl)-8-aza-bicyclo[3.2.1]oct-3-yl]-urea::MLS000075625::SMR000006690::cid_646028

SMILES O=C1/C(=C/c2ccc3c(c2)OCO3)N=C(N(Cc2ccccc2)c2ccccc2)N1Cc1ccccc1

InChI Key InChIKey=BDXFAAMOJLRGLA-UHFFFAOYSA-N

Data  1 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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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 = 39576   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 39576BDBM39576(TJU-B076 | (Z)-5-(benzo[d][1,3]dioxol-5-ylmethylen...)
Affinity DataIC50: 5.50E+3nMAssay 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 protein kinase CLK1 [129-484](Human)
Shanghai East Hospital

US Patent
LigandChemical structure of BindingDB Monomer ID 39576BDBM39576(TJU-B076 | (Z)-5-(benzo[d][1,3]dioxol-5-ylmethylen...)
Affinity DataIC50: 5.50E+3nMAssay 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 39576BDBM39576(TJU-B076 | (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