BDBM50317893 CHEMBL1095001::N6-[4-(4-(3,5-Di-tert-butyl-4-hydroxyphenethylamino)-4-oxobutanamido)benzyl]adenosine-5'-N-methylcarboxamide
SMILES: CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(NC(=O)CCC(=O)NCCc4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C)cc3)ncnc12
InChI Key: InChIKey=VXXNUWWLPWLLIW-BSYZOHBLSA-N
Data: 3 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 A3 (Homo sapiens (Human)) | BDBM50317893 (CHEMBL1095001 | N6-[4-(4-(3,5-Di-tert-butyl-4-hydr...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University Curated by ChEMBL | Assay Description Displacement of [125I]ABA from human recombinant adenosine A3 receptor by rapid filtration technique | Bioorg Med Chem 18: 3078-87 (2010) Article DOI: 10.1016/j.bmc.2010.03.047 BindingDB Entry DOI: 10.7270/Q2X63N4V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50317893 (CHEMBL1095001 | N6-[4-(4-(3,5-Di-tert-butyl-4-hydr...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 42.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University Curated by ChEMBL | Assay Description Displacement of [125I]ABA from human recombinant adenosine A1 receptor by rapid filtration technique | Bioorg Med Chem 18: 3078-87 (2010) Article DOI: 10.1016/j.bmc.2010.03.047 BindingDB Entry DOI: 10.7270/Q2X63N4V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50317893 (CHEMBL1095001 | N6-[4-(4-(3,5-Di-tert-butyl-4-hydr...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University Curated by ChEMBL | Assay Description Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor by rapid filtration technique | Bioorg Med Chem 18: 3078-87 (2010) Article DOI: 10.1016/j.bmc.2010.03.047 BindingDB Entry DOI: 10.7270/Q2X63N4V | |||||||||||
More data for this Ligand-Target Pair |