BDBM50399577 CHEMBL2181163
SMILES: Cn1cc2c(n1)nc(NC1CCCCCCC1)n1nc(nc21)-c1ccco1
InChI Key: InChIKey=HRFCOULEPPNWST-UHFFFAOYSA-N
Data: 4 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)) | BDBM50399577 (CHEMBL2181163) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 15.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste Curated by ChEMBL | Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane | J Med Chem 55: 9654-68 (2012) Article DOI: 10.1021/jm300899q BindingDB Entry DOI: 10.7270/Q2348MJK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50399577 (CHEMBL2181163) | 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 | 279 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste Curated by ChEMBL | Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membrane | J Med Chem 55: 9654-68 (2012) Article DOI: 10.1021/jm300899q BindingDB Entry DOI: 10.7270/Q2348MJK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50399577 (CHEMBL2181163) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 484 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste Curated by ChEMBL | Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cell membrane | J Med Chem 55: 9654-68 (2012) Article DOI: 10.1021/jm300899q BindingDB Entry DOI: 10.7270/Q2348MJK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2b (Homo sapiens (Human)) | BDBM50399577 (CHEMBL2181163) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste Curated by ChEMBL | Assay Description Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as NECA-induced adenylate cyclase activity | J Med Chem 55: 9654-68 (2012) Article DOI: 10.1021/jm300899q BindingDB Entry DOI: 10.7270/Q2348MJK | |||||||||||
More data for this Ligand-Target Pair |