BDBM50039677 4-[3-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-propylcarbamoyl]-benzenesulfonyl fluoride::CHEMBL89920
SMILES: CCCn1c2nc(CCCNC(=O)c3ccc(cc3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O
InChI Key: InChIKey=NTTROYHIODZBSX-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 A1 (Homo sapiens (Human)) | BDBM50039677 (4-[3-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Florida Curated by ChEMBL | Assay Description Inhibition of specific binding of [3H]-CPX to the A1 adenosine receptor in DDT1 MF-2 (DDT) cells. | J Med Chem 37: 2704-12 (1994) BindingDB Entry DOI: 10.7270/Q24748X6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50039677 (4-[3-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a |
University of South Florida Curated by ChEMBL | Assay Description Specific binding of [3H]-CPX to the A1-adenosine receptor | J Med Chem 37: 2704-12 (1994) BindingDB Entry DOI: 10.7270/Q24748X6 | |||||||||||
More data for this Ligand-Target Pair |