BDBM50496139 CHEMBL3121732
SMILES: Cn1c2nc(Cc3ccc(OCCCN4CCC5(CC4)OCCO5)cc3)[nH]c2c(=O)n(C)c1=O
InChI Key: InChIKey=WHJCTOCJGOSTSO-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 A2a (Homo sapiens (Human)) | BDBM50496139 (CHEMBL3121732) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Panjab University Curated by ChEMBL | Assay Description Displacement of [3H]-NECA from human recombinant adenosine A2A receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis | Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptors; A2a & A2b (Homo sapiens (Human)) | BDBM50496139 (CHEMBL3121732) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | >10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Panjab University Curated by ChEMBL | Assay Description Binding affinity to human recombinant adenosine A2B receptor expressed in CHO cell membranes assessed as inhibition of NECA-stimulated adenylyl cycla... | Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50496139 (CHEMBL3121732) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | >30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Panjab University Curated by ChEMBL | Assay Description Displacement of [3H]-CCPA from human recombinant adenosine A1 receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis | Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50496139 (CHEMBL3121732) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | >30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Panjab University Curated by ChEMBL | Assay Description Displacement of [3H]-HEMADO from human recombinant adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis | Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2 | |||||||||||
More data for this Ligand-Target Pair |