null
SMILES: CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12
InChI Key: InChIKey=PAOANWZGLPPROA-RQXXJAGISA-N
PDB links: 2 PDB IDs match this monomer.
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)) | BDBM35804 ((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 613 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Agonist activity at human adenosine A3 receptor expressed in CHO cells by GTPPgammaS binding assay | Bioorg Med Chem Lett 20: 1219-24 (2010) Article DOI: 10.1016/j.bmcl.2009.11.131 BindingDB Entry DOI: 10.7270/Q2X92BDC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2b (Homo sapiens (Human)) | BDBM35804 ((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as effect on cAMP production by luciferase reporter gene assay | Bioorg Med Chem Lett 20: 1219-24 (2010) Article DOI: 10.1016/j.bmcl.2009.11.131 BindingDB Entry DOI: 10.7270/Q2X92BDC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM35804 ((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | n/a | n/a | 6.44E+3 | n/a | n/a | n/a | n/a |
Griffith University Curated by ChEMBL | Assay Description Binding against human adenosine A1 receptor | Bioorg Med Chem Lett 8: 691-4 (1999) BindingDB Entry DOI: 10.7270/Q21Z44Z9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM35804 ((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | n/a | n/a | >100 | n/a | n/a | n/a | n/a |
Griffith University Curated by ChEMBL | Assay Description [S]GTP gamma-S binding against adenosine A1 receptor in rat brain | Bioorg Med Chem Lett 8: 691-4 (1999) BindingDB Entry DOI: 10.7270/Q21Z44Z9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (GUINEA PIG) | BDBM35804 ((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | n/a | n/a | 2.46E+4 | n/a | n/a | n/a | n/a |
University of South Florida Curated by ChEMBL | Assay Description Prolongation of the stimulus-QRS interval by 50% of the maximum response at the Adenosine A1 receptor in langendorff guinea pig heart preparation | J Med Chem 34: 1334-9 (1991) Checked by Author BindingDB Entry DOI: 10.7270/Q23N240H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Rattus norvegicus (rat)) | BDBM35804 ((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars | PDB PubMed | n/a | n/a | n/a | n/a | 115 | n/a | n/a | n/a | n/a |
Universit£ di Camerino Curated by ChEMBL | Assay Description Functional activity against adenosine A2a receptor from rat aorta. | J Med Chem 38: 1462-72 (1995) BindingDB Entry DOI: 10.7270/Q2R78FWX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM35804 ((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | 632 | n/a | n/a | n/a | 8.4 | n/a |
NIDDK Curated by ChEMBL | Assay Description Saturation binding of wild type human Adenosine A2A receptor at pH 8.4 | J Med Chem 40: 2588-95 (1997) Article DOI: 10.1021/jm970084v BindingDB Entry DOI: 10.7270/Q27M08MC | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Adenosine receptor A2b (Homo sapiens (Human)) | BDBM35804 ((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 2.13E+5 | n/a | n/a | n/a | n/a |
Leiden University Curated by ChEMBL | Assay Description Effective concentration for cAMP production in CHO-KI cells stably transfected with human adenosine A2B receptor cDNA | J Med Chem 42: 1384-92 (1999) Article DOI: 10.1021/jm9804984 BindingDB Entry DOI: 10.7270/Q2X34Z4X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Rattus norvegicus (rat)) | BDBM35804 ((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars | PDB PubMed | n/a | n/a | n/a | n/a | 115 | n/a | n/a | n/a | n/a |
Universit£ di Milano Curated by ChEMBL | Assay Description Functional activity at Adenosine A2A receptor as vasorelaation of rat aorta | J Med Chem 38: 3581-5 (1995) BindingDB Entry DOI: 10.7270/Q29C6Z2Z | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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