BDBM50040359 CHEMBL145159::N-[1,3-Bis-cyclopropylmethyl-7-(4-methoxy-benzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]-4-methoxy-benzenesulfonamide
SMILES: COc1ccc(Cn2c(NS(=O)(=O)c3ccc(OC)cc3)nc3n(CC4CC4)c(=O)n(CC4CC4)c(=O)c23)cc1
InChI Key: InChIKey=IPORQBCLYQZQEE-UHFFFAOYSA-N
Data: 2 IC50
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 (Rattus norvegicus (rat)) | BDBM50040359 (CHEMBL145159 | N-[1,3-Bis-cyclopropylmethyl-7-(4-m...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of adenosine binding to A1 receptorof rat brain homogenates | J Med Chem 37: 476-85 (1994) BindingDB Entry DOI: 10.7270/Q2P26X6N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human)) | BDBM50040359 (CHEMBL145159 | N-[1,3-Bis-cyclopropylmethyl-7-(4-m...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Concentration required to inhibit 50% activity of phosphodiesterase VA isoenzyme at 100 microM. | J Med Chem 37: 476-85 (1994) BindingDB Entry DOI: 10.7270/Q2P26X6N | |||||||||||
More data for this Ligand-Target Pair |