BDBM50281135 (2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-(piperidin-1-ylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol::CHEMBL313806
SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCC3)ncnc12
InChI Key: InChIKey=OTPTUJAELRXPIR-SDBHATRESA-N
Data: 3 KI
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50281135 ((2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-(piperidin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity at Adenosine A1 receptor in rat brain membranes by [3H](R)-PIA displacement. | Bioorg Med Chem Lett 7: 3085-3090 (1997) Article DOI: 10.1016/S0960-894X(97)10177-9 BindingDB Entry DOI: 10.7270/Q2SQ90W2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50281135 ((2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-(piperidin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Tested for inhibition of adenosine A1 receptor binding to rat brain | Bioorg Med Chem Lett 3: 2661-2666 (1993) Article DOI: 10.1016/S0960-894X(01)80737-X BindingDB Entry DOI: 10.7270/Q2MC8ZXQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat)) | BDBM50281135 ((2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-(piperidin-1-yl...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Tested for inhibition of adenosine A2 receptor binding to rat brain | Bioorg Med Chem Lett 3: 2661-2666 (1993) Article DOI: 10.1016/S0960-894X(01)80737-X BindingDB Entry DOI: 10.7270/Q2MC8ZXQ | |||||||||||
More data for this Ligand-Target Pair |