BDBM50095788 1-[6-Amino-8-(2-fluoro-phenyl)-9-methyl-9H-purin-2-ylethynyl]-cyclohexanol::CHEMBL301512
SMILES: Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCCC1)-c1ccccc1F
InChI Key: InChIKey=OGMPGZVDXMCVJD-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50095788 (1-[6-Amino-8-(2-fluoro-phenyl)-9-methyl-9H-purin-2...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Company, Ltd. Curated by ChEMBL | Assay Description Binding Affinity towards Adenosine A2A receptor expressed in HEK-293 cells versus [3H]-CGS-21,680 | J Med Chem 44: 170-9 (2001) BindingDB Entry DOI: 10.7270/Q2R49Q0X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50095788 (1-[6-Amino-8-(2-fluoro-phenyl)-9-methyl-9H-purin-2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Company, Ltd. Curated by ChEMBL | Assay Description Binding Affinity towards Adenosine A1 receptor expressed in CHO-K1 cells versus [3H]-CCPA | J Med Chem 44: 170-9 (2001) BindingDB Entry DOI: 10.7270/Q2R49Q0X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2b (Homo sapiens (Human)) | BDBM50095788 (1-[6-Amino-8-(2-fluoro-phenyl)-9-methyl-9H-purin-2...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Company, Ltd. Curated by ChEMBL | Assay Description Inhibitory activity on NECA-induced cyclic-AMP accumulation in CHO-K1 cells expressing human Adenosine A2B receptor | J Med Chem 44: 170-9 (2001) BindingDB Entry DOI: 10.7270/Q2R49Q0X | |||||||||||
More data for this Ligand-Target Pair |