BDBM72622 IE-LW::MLS000562613::SMR000391077::cid_16196549

SMILES CC[C@@H](C)C(N)c1cn(nn1)[C@@H](CCC(O)=O)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)C(N)CC(C)C

InChI Key InChIKey=WGMMPLRCENYPEH-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 7 hits for monomerid = 72622   

TargetCholinesterase(Human)
Uniwersytet Jagiellonski

US Patent
LigandChemical structure of BindingDB Monomer ID 72622BDBM72622(US12492163, Name (1))
Affinity DataIC50: 196nMAssay 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

TargetCarboxylic ester hydrolase(Horse)
Uniwersytet Jagiellonski

US Patent
LigandChemical structure of BindingDB Monomer ID 72622BDBM72622(US12492163, Name (1))
Affinity DataIC50: 627nMAssay 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

TargetBeta-secretase 1(Human)
Uniwersytet Jagiellonski

US Patent
LigandChemical structure of BindingDB Monomer ID 72622BDBM72622(US12492163, Name (1))
Affinity DataIC50: 1.01E+4nMAssay 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

TargetSodium- and chloride-dependent GABA transporter 1(Mouse)
Uniwersytet Jagiellonski

US Patent
LigandChemical structure of BindingDB Monomer ID 72622BDBM72622(US12492163, Name (1))
Affinity DataIC50: 1.10E+4nMAssay 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

TargetSodium- and chloride-dependent GABA transporter 3(Mouse)
Uniwersytet Jagiellonski

US Patent
LigandChemical structure of BindingDB Monomer ID 72622BDBM72622(US12492163, Name (1))
Affinity DataIC50: 2.45E+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:
4/20/2026
Entry Details US Patent

TargetSodium- and chloride-dependent betaine transporter(Mouse)
Uniwersytet Jagiellonski

US Patent
LigandChemical structure of BindingDB Monomer ID 72622BDBM72622(US12492163, Name (1))
Affinity DataIC50: 2.75E+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:
4/20/2026
Entry Details US Patent

TargetSodium- and chloride-dependent GABA transporter 2(Mouse)
Uniwersytet Jagiellonski

US Patent
LigandChemical structure of BindingDB Monomer ID 72622BDBM72622(US12492163, Name (1))
Affinity DataIC50: 2.85E+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:
4/20/2026
Entry Details US Patent