BDBM100270 MLS003120820::SMR001273183::[(2S,6R)-4-(4-phenylbenzyl)-6-[6-(4-pyridylmethylamino)purin-9-yl]morpholin-2-yl]methanol::[(2S,6R)-4-[(4-phenylphenyl)methyl]-6-[6-(pyridin-4-ylmethylamino)-9-purinyl]-2-morpholinyl]methanol::[(2S,6R)-4-[(4-phenylphenyl)methyl]-6-[6-(pyridin-4-ylmethylamino)purin-9-yl]morpholin-2-yl]methanol::cid_49795224

SMILES C[C@@H]1CC(n2cnc3c(NC(C4CC4)C4CC4)ncnc32)C(O)C1O

InChI Key InChIKey=CFPVTWLZSXKODX-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 100270   

TargetAdenosine receptor A2a(Human)
Broad Institute

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 100270BDBM100270(US20260001881, Compound T13.4)
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 A1(Human)
Broad Institute

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 100270BDBM100270(US20260001881, Compound T13.4)
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 100270BDBM100270(US20260001881, Compound T13.4)
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