BDBM50199271 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-cyclohexanecarboxylic acid butylamide::CHEMBL217085
SMILES: CCCCNC(=O)[C@H]1CC[C@@H](CC1)c1nc2c([nH]1)n(CCC)c(=O)n(CCC)c2=O
InChI Key: InChIKey=VNIAELPLZNPYDE-WKILWMFISA-N
Data: 2 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 A1 (Homo sapiens (Human)) | BDBM50199271 (4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc. Curated by ChEMBL | Assay Description Displacement of [125I]ABA from human adenosine A1 receptor expressed in CHOK1 cells | J Med Chem 49: 7119-31 (2006) Article DOI: 10.1021/jm0605381 BindingDB Entry DOI: 10.7270/Q2DN44QG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50199271 (4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...) | 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 | 2.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc. Curated by ChEMBL | Assay Description Displacement of [125I]ZM241385 from human adenosine A2A receptor expressed in HEK cells | J Med Chem 49: 7119-31 (2006) Article DOI: 10.1021/jm0605381 BindingDB Entry DOI: 10.7270/Q2DN44QG | |||||||||||
More data for this Ligand-Target Pair |