BDBM50366768 CHEMBL611561
SMILES: CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCCCCCCCCNc3ccc([N+]([O-])=O)c4[n-][o+]nc34)ncnc12
InChI Key: InChIKey=XAZHRVUTEATTIV-UHFFFAOYSA-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 A3 (Homo sapiens (Human)) | BDBM50366768 (CHEMBL611561) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa Curated by ChEMBL | Assay Description Displacement of [125I]AB-MECA from human Adenosine A3 receptor expressed in CHO cells | Bioorg Med Chem Lett 11: 3023-6 (2001) BindingDB Entry DOI: 10.7270/Q2RJ4K0H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50366768 (CHEMBL611561) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 3.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa Curated by ChEMBL | Assay Description Affinity for Adenosine A1 receptor by displacement of [3H]DPCPX from human cerebral cortex | Bioorg Med Chem Lett 11: 3023-6 (2001) BindingDB Entry DOI: 10.7270/Q2RJ4K0H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50366768 (CHEMBL611561) | 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 | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa Curated by ChEMBL | Assay Description Affinity for A2a receptor by displacement of [3H]-CGS- 21680 from human striatum | Bioorg Med Chem Lett 11: 3023-6 (2001) BindingDB Entry DOI: 10.7270/Q2RJ4K0H | |||||||||||
More data for this Ligand-Target Pair |