BDBM50106541 4-Amino-2-(6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3-ol::CHEMBL133591
SMILES: N[C@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
InChI Key: InChIKey=VDLILMGMLIFWHR-KVQFHVITSA-N
Data: 5 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 A3 (Homo sapiens (Human)) | BDBM50106541 (4-Amino-2-(6-cyclopentylamino-purin-9-yl)-5-hydrox...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Binding affinity at Mutant (H272E) human adenosine A3 receptor expressed in COS-7 cells | J Med Chem 44: 4125-36 (2001) BindingDB Entry DOI: 10.7270/Q2Z60PSZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50106541 (4-Amino-2-(6-cyclopentylamino-purin-9-yl)-5-hydrox...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Binding affinity at wild-type Adenosine A3 receptor expressed in COS-7 cells | J Med Chem 44: 4125-36 (2001) BindingDB Entry DOI: 10.7270/Q2Z60PSZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat)) | BDBM50106541 (4-Amino-2-(6-cyclopentylamino-purin-9-yl)-5-hydrox...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | >10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Binding affinity at rat brain Adenosine A2A receptor in CHO cells | J Med Chem 44: 4125-36 (2001) BindingDB Entry DOI: 10.7270/Q2Z60PSZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a and A3 (Rattus norvegicus) | BDBM50106541 (4-Amino-2-(6-cyclopentylamino-purin-9-yl)-5-hydrox...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | >10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Binding affinity at rat adenosine A3 receptor in RBL-2H3 cells | J Med Chem 44: 4125-36 (2001) BindingDB Entry DOI: 10.7270/Q2Z60PSZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50106541 (4-Amino-2-(6-cyclopentylamino-purin-9-yl)-5-hydrox...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | >10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Binding affinity at rat brain Adenosine A1 receptor | J Med Chem 44: 4125-36 (2001) BindingDB Entry DOI: 10.7270/Q2Z60PSZ | |||||||||||
More data for this Ligand-Target Pair |