BDBM50449641 CHEMBL4175878
SMILES: COc1cccc(CNc2nc(N)c3nc(sc3n2)-c2cccs2)c1
InChI Key: InChIKey=DZBPQTHYQQLPHZ-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 A2a (Homo sapiens (Human)) | BDBM50449641 (CHEMBL4175878) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze Curated by ChEMBL | Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting metho... | Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50449641 (CHEMBL4175878) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze Curated by ChEMBL | Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method | Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50449641 (CHEMBL4175878) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze Curated by ChEMBL | Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting meth... | Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2b (Homo sapiens (Human)) | BDBM50449641 (CHEMBL4175878) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze Curated by ChEMBL | Assay Description Inverse agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins i... | Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W | |||||||||||
More data for this Ligand-Target Pair |