BDBM100268 MLS003120821::SMR001273184::[(2S,6R)-6-[6-[(4-fluorobenzyl)amino]purin-9-yl]-4-(4-phenylbenzyl)morpholin-2-yl]methanol::[(2S,6R)-6-[6-[(4-fluorophenyl)methylamino]-9-purinyl]-4-[(4-phenylphenyl)methyl]-2-morpholinyl]methanol::[(2S,6R)-6-[6-[(4-fluorophenyl)methylamino]purin-9-yl]-4-[(4-phenylphenyl)methyl]morpholin-2-yl]methanol::cid_49778466

SMILES C[C@@H]1CC(n2cnc3c(NC4C5(CC5)C45CC5)nc(Cl)nc32)C(O)C1O

InChI Key InChIKey=PSOYGVRRFKFURU-UHFFFAOYSA-N

Data  2 IC50

  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 = 100268   

TargetAdenosine receptor A1(Human)
Broad Institute

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 100268BDBM100268(US20260001881, Compound T13.2)
Affinity DataKi: <1.00E+3nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/13/2026
Entry Details
US Patent

TargetAdenosine receptor A2a(Human)
Broad Institute

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 100268BDBM100268(US20260001881, Compound T13.2)
Affinity DataKi:  5.50E+3nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/13/2026
Entry Details
US Patent

TargetAdenosine receptor A3(Human)
Broad Institute

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 100268BDBM100268(US20260001881, Compound T13.2)
Affinity DataKi: >1.00E+4nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/13/2026
Entry Details
US Patent