BDBM50088423 (1R,2R,3S,4R,5S)-4-(2-Chloro-6-cyclopentylamino-purin-9-yl)-1-hydroxymethyl-bicyclo[3.1.0]hexane-2,3-diol::4-(2-Chloro-6-cyclopentylamino-purin-9-yl)-1-hydroxymethyl-bicyclo[3.1.0]hexane-2,3-diol::CHEMBL284216
SMILES: OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
InChI Key: InChIKey=BUOKJEIZVUAMBO-RFFHHDCGSA-N
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)) | BDBM50088423 ((1R,2R,3S,4R,5S)-4-(2-Chloro-6-cyclopentylamino-pu...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 8.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK Curated by ChEMBL | Assay Description Ability to displace specific radioligand [3H]R-PIA binding at Adenosine A1 receptor in rat brain membrane | Bioorg Med Chem Lett 11: 1333-7 (2001) BindingDB Entry DOI: 10.7270/Q2445N1F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50088423 ((1R,2R,3S,4R,5S)-4-(2-Chloro-6-cyclopentylamino-pu...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 8.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description Displacement of [3H]R-PIA from rat brain membrane Adenosine A1 receptor | J Med Chem 43: 2196-203 (2000) BindingDB Entry DOI: 10.7270/Q2ZW1MM5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50088423 ((1R,2R,3S,4R,5S)-4-(2-Chloro-6-cyclopentylamino-pu...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 466 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description Displacement of [125I]- AB-MECA from human adenosine A3 receptor expressed in HEK cells | J Med Chem 43: 2196-203 (2000) BindingDB Entry DOI: 10.7270/Q2ZW1MM5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50088423 ((1R,2R,3S,4R,5S)-4-(2-Chloro-6-cyclopentylamino-pu...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 466 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK Curated by ChEMBL | Assay Description Displacement of [125I]AB-MECA from human Adenosine A3 receptor expressed in CHO cells | Bioorg Med Chem Lett 11: 1333-7 (2001) BindingDB Entry DOI: 10.7270/Q2445N1F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat)) | BDBM50088423 ((1R,2R,3S,4R,5S)-4-(2-Chloro-6-cyclopentylamino-pu...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 3.39E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK Curated by ChEMBL | Assay Description Ability to displace specific radioligand [3H]-CGS- 21680 binding at A2A receptors (rA2A) in rat brain membrane | Bioorg Med Chem Lett 11: 1333-7 (2001) BindingDB Entry DOI: 10.7270/Q2445N1F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat)) | BDBM50088423 ((1R,2R,3S,4R,5S)-4-(2-Chloro-6-cyclopentylamino-pu...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 3.39E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description Displacement of specific [3H]-CGS- 21680 binding to adenosine A2A receptor in rat striatal membranes | J Med Chem 43: 2196-203 (2000) BindingDB Entry DOI: 10.7270/Q2ZW1MM5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50088423 ((1R,2R,3S,4R,5S)-4-(2-Chloro-6-cyclopentylamino-pu...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 145 | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description Stimulation of [35S]GTP-gamma-S, binding to adenosine A1 receptor of rat cerebral cortical membrane | J Med Chem 43: 2196-203 (2000) BindingDB Entry DOI: 10.7270/Q2ZW1MM5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50088423 ((1R,2R,3S,4R,5S)-4-(2-Chloro-6-cyclopentylamino-pu...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 31 | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description Stimulation of [35S]GTP-gamma-S, binding to human adenosine A1 receptor | J Med Chem 43: 2196-203 (2000) BindingDB Entry DOI: 10.7270/Q2ZW1MM5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50088423 ((1R,2R,3S,4R,5S)-4-(2-Chloro-6-cyclopentylamino-pu...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description Stimulation of [35S]GTP-gamma-S, against human adenosine A3 receptor | J Med Chem 43: 2196-203 (2000) BindingDB Entry DOI: 10.7270/Q2ZW1MM5 | |||||||||||
More data for this Ligand-Target Pair |