BDBM50416333 CHEMBL1171379
SMILES: COc1cc(OCc2nc(no2)-c2ccc(Br)cc2)ccc1-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1
InChI Key: InChIKey=QRQUDLPTEVGJQX-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 A2b (Homo sapiens (Human)) | BDBM50416333 (CHEMBL1171379) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 40.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de A Coru£a Curated by ChEMBL | Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells after 30 mins | Eur J Med Chem 45: 2884-92 (2010) Article DOI: 10.1016/j.ejmech.2010.03.011 BindingDB Entry DOI: 10.7270/Q2T72JPT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50416333 (CHEMBL1171379) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 182 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de A Coru£a Curated by ChEMBL | Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHO-A1 cells after 60 mins | Eur J Med Chem 45: 2884-92 (2010) Article DOI: 10.1016/j.ejmech.2010.03.011 BindingDB Entry DOI: 10.7270/Q2T72JPT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50416333 (CHEMBL1171379) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 708 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de A Coru£a Curated by ChEMBL | Assay Description Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in human HeLa cells after 30 mins | Eur J Med Chem 45: 2884-92 (2010) Article DOI: 10.1016/j.ejmech.2010.03.011 BindingDB Entry DOI: 10.7270/Q2T72JPT | |||||||||||
More data for this Ligand-Target Pair |