BDBM50187591 CHEMBL3827331
SMILES: CCCCn1c2nc3N(CCc4ccc(OCCN(CC)CC)cc4)CCCn3c2c(=O)n(CCCC)c1=O
InChI Key: InChIKey=PCGDFXCJWKWRNP-UHFFFAOYSA-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 |
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Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50187591 (CHEMBL3827331) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College Curated by ChEMBL | Assay Description Displacement of [3H]CCPA from adenosine receptor A1 in rat brain cortical membranes | Bioorg Med Chem 24: 4347-4362 (2016) BindingDB Entry DOI: 10.7270/Q2R49SQ5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2b (Homo sapiens (Human)) | BDBM50187591 (CHEMBL3827331) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 109 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College Curated by ChEMBL | Assay Description Displacement of [3H]PSB-603 from recombinant human adenosine receptor A2b expressed in CHO cell membranes | Bioorg Med Chem 24: 4347-4362 (2016) BindingDB Entry DOI: 10.7270/Q2R49SQ5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50187591 (CHEMBL3827331) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College Curated by ChEMBL | Assay Description Displacement of [3H]PSB-603 from recombinant human adenosine receptor A3 expressed in CHO cell membranes | Bioorg Med Chem 24: 4347-4362 (2016) BindingDB Entry DOI: 10.7270/Q2R49SQ5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50187591 (CHEMBL3827331) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 546 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College Curated by ChEMBL | Assay Description Displacement of [3H]MSX2 from recombinant human adenosine receptor A2a expressed in CHO cell membranes | Bioorg Med Chem 24: 4347-4362 (2016) BindingDB Entry DOI: 10.7270/Q2R49SQ5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine A2 receptor (Rattus norvegicus (rat)) | BDBM50187591 (CHEMBL3827331) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 566 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College Curated by ChEMBL | Assay Description Displacement of [3H]MSX2 from adenosine receptor A2a in rat brain striatal membranes | Bioorg Med Chem 24: 4347-4362 (2016) BindingDB Entry DOI: 10.7270/Q2R49SQ5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a and A3 (Rattus norvegicus) | BDBM50187591 (CHEMBL3827331) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College Curated by ChEMBL | Assay Description Displacement of [3H]NECA from recombinant rat adenosine receptor A3 expressed in CHO cell membranes | Bioorg Med Chem 24: 4347-4362 (2016) BindingDB Entry DOI: 10.7270/Q2R49SQ5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2b (Rattus norvegicus) | BDBM50187591 (CHEMBL3827331) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College Curated by ChEMBL | Assay Description Displacement of [3H]PSB-603 from recombinant rat adenosine receptor A2b expressed in CHO cell membranes | Bioorg Med Chem 24: 4347-4362 (2016) BindingDB Entry DOI: 10.7270/Q2R49SQ5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50187591 (CHEMBL3827331) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College Curated by ChEMBL | Assay Description Displacement of [3H]CCPA from recombinant human adenosine receptor A1 expressed in CHO cell membranes | Bioorg Med Chem 24: 4347-4362 (2016) BindingDB Entry DOI: 10.7270/Q2R49SQ5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2b (Homo sapiens (Human)) | BDBM50187591 (CHEMBL3827331) | NCI pathway 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 | 335 | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College Curated by ChEMBL | Assay Description Antagonist activity at human adenosine receptor A2b expressed in CHO cell membranes assessed as inhibition of NECA-induced cAMP accumulation measured... | Bioorg Med Chem 24: 4347-4362 (2016) BindingDB Entry DOI: 10.7270/Q2R49SQ5 | |||||||||||
More data for this Ligand-Target Pair |