BDBM50009535 (CGS 22,989) 2-[6-Amino-2-(2-cyclohex-1-enyl-ethylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::2-[6-Amino-2-(2-cyclohex-1-enyl-ethylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL314313
SMILES: Nc1nc(NCCC2=CCCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
InChI Key: InChIKey=SLUGAKUMOFIJEH-IKYDMHQPSA-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 (Rattus norvegicus (rat)) | BDBM50009535 ((CGS 22,989) 2-[6-Amino-2-(2-cyclohex-1-enyl-ethyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CIBA-GEIGY Corporation Curated by ChEMBL | Assay Description Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor | J Med Chem 34: 2570-9 (1991) BindingDB Entry DOI: 10.7270/Q2BZ66NN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat)) | BDBM50009535 ((CGS 22,989) 2-[6-Amino-2-(2-cyclohex-1-enyl-ethyl...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
CIBA-GEIGY Corporation Curated by ChEMBL | Assay Description Concentration required for 50% inhibition of [3H]NECA binding on rat brain adenosine A2 receptor | J Med Chem 34: 2570-9 (1991) BindingDB Entry DOI: 10.7270/Q2BZ66NN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine A2 receptor (Homo sapiens (Human)) | BDBM50009535 ((CGS 22,989) 2-[6-Amino-2-(2-cyclohex-1-enyl-ethyl...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 2.20 | n/a | n/a | n/a | n/a |
University of South Florida Curated by ChEMBL | Assay Description In vitro effect on coronary vasodilation in guinea pig heart. | J Med Chem 35: 4557-61 (1993) BindingDB Entry DOI: 10.7270/Q21Z43BT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine A1 receptor (GUINEA PIG) | BDBM50009535 ((CGS 22,989) 2-[6-Amino-2-(2-cyclohex-1-enyl-ethyl...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 2.29E+4 | n/a | n/a | n/a | n/a |
University of South Florida Curated by ChEMBL | Assay Description In vitro prolonging of the stimulus-QRS interval in guinea pig heart. | J Med Chem 35: 4557-61 (1993) BindingDB Entry DOI: 10.7270/Q21Z43BT | |||||||||||
More data for this Ligand-Target Pair |