BDBM50268180 1-Ethyl-8-(4-(4-(4-methylbenzyl)piperazine-1-sulfonyl)phenyl)-3,7-dihydropurine-2,6-dione::CHEMBL520617
SMILES: CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(C)cc2)CC1
InChI Key: InChIKey=BGRKVIAGBNUFJB-UHFFFAOYSA-N
Data: 4 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 A2b (Homo sapiens (Human)) | BDBM50268180 (1-Ethyl-8-(4-(4-(4-methylbenzyl)piperazine-1-sulfo...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute Curated by ChEMBL | Assay Description Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells | J Med Chem 52: 3994-4006 (2009) Article DOI: 10.1021/jm900413e BindingDB Entry DOI: 10.7270/Q24J0G1M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50268180 (1-Ethyl-8-(4-(4-(4-methylbenzyl)piperazine-1-sulfo...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute Curated by ChEMBL | Assay Description Displacement of [3H]CCPA from rat brain cortex adenosine A1 receptor | J Med Chem 52: 3994-4006 (2009) Article DOI: 10.1021/jm900413e BindingDB Entry DOI: 10.7270/Q24J0G1M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat)) | BDBM50268180 (1-Ethyl-8-(4-(4-(4-methylbenzyl)piperazine-1-sulfo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 341 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute Curated by ChEMBL | Assay Description Displacement of [3H]MSX-2 from rat brain striatum adenosine A2A receptor | J Med Chem 52: 3994-4006 (2009) Article DOI: 10.1021/jm900413e BindingDB Entry DOI: 10.7270/Q24J0G1M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50268180 (1-Ethyl-8-(4-(4-(4-methylbenzyl)piperazine-1-sulfo...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute Curated by ChEMBL | Assay Description Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells | J Med Chem 52: 3994-4006 (2009) Article DOI: 10.1021/jm900413e BindingDB Entry DOI: 10.7270/Q24J0G1M | |||||||||||
More data for this Ligand-Target Pair |