BDBM50080389 (2S,3S,4R,5R)-2-Chloromethyl-5-[2-chloro-6-(4-phenylsulfanyl-piperidin-1-ylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol::CHEMBL117974
SMILES: O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(NN3CCC(CC3)Sc3ccccc3)nc(Cl)nc12
InChI Key: InChIKey=ZWMXNEWPLAOIAZ-WVSUBDOOSA-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 (Rattus norvegicus (rat)) | BDBM50080389 ((2S,3S,4R,5R)-2-Chloromethyl-5-[2-chloro-6-(4-phen...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novo Nordisk A/S Curated by ChEMBL | Assay Description Displacement of [3H]-R-PIA from adenosine A1 receptor of Wistar rat forebrain | J Med Chem 42: 3463-77 (1999) Article DOI: 10.1021/jm960682u BindingDB Entry DOI: 10.7270/Q2222SZR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat)) | BDBM50080389 ((2S,3S,4R,5R)-2-Chloromethyl-5-[2-chloro-6-(4-phen...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novo Nordisk A/S Curated by ChEMBL | Assay Description Displacement of [3H]-CGS- 21680 from adenosine A2A receptor of rat striatal tissue | J Med Chem 42: 3463-77 (1999) Article DOI: 10.1021/jm960682u BindingDB Entry DOI: 10.7270/Q2222SZR | |||||||||||
More data for this Ligand-Target Pair |