Found 4 hits for monomerid = 50219389 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)) | BDBM50219389
(3,5-di-tert-butyl-N-(6-(9-((2R,3R,4S,5R)-3,4-dihyd...)Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)NCCCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C31H46N6O6/c1-30(2,3)19-13-18(14-20(23(19)39)31(4,5)6)28(42)33-12-10-8-7-9-11-32-26-22-27(35-16-34-26)37(17-36-22)29-25(41)24(40)21(15-38)43-29/h13-14,16-17,21,24-25,29,38-41H,7-12,15H2,1-6H3,(H,33,42)(H,32,34,35)/t21-,24-,25-,29-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description Binding affinity to adenosine A3 receptor |
Bioorg Med Chem Lett 17: 5437-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.035 BindingDB Entry DOI: 10.7270/Q2VX0G7M |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50219389
(3,5-di-tert-butyl-N-(6-(9-((2R,3R,4S,5R)-3,4-dihyd...)Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)NCCCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C31H46N6O6/c1-30(2,3)19-13-18(14-20(23(19)39)31(4,5)6)28(42)33-12-10-8-7-9-11-32-26-22-27(35-16-34-26)37(17-36-22)29-25(41)24(40)21(15-38)43-29/h13-14,16-17,21,24-25,29,38-41H,7-12,15H2,1-6H3,(H,33,42)(H,32,34,35)/t21-,24-,25-,29-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description Binding affinity to adenosine A1 receptor |
Bioorg Med Chem Lett 17: 5437-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.035 BindingDB Entry DOI: 10.7270/Q2VX0G7M |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50219389
(3,5-di-tert-butyl-N-(6-(9-((2R,3R,4S,5R)-3,4-dihyd...)Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)NCCCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C31H46N6O6/c1-30(2,3)19-13-18(14-20(23(19)39)31(4,5)6)28(42)33-12-10-8-7-9-11-32-26-22-27(35-16-34-26)37(17-36-22)29-25(41)24(40)21(15-38)43-29/h13-14,16-17,21,24-25,29,38-41H,7-12,15H2,1-6H3,(H,33,42)(H,32,34,35)/t21-,24-,25-,29-/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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 (Parkville Campus)
Curated by ChEMBL
| Assay Description Binding affinity to adenosine A2B receptor |
Bioorg Med Chem Lett 17: 5437-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.035 BindingDB Entry DOI: 10.7270/Q2VX0G7M |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50219389
(3,5-di-tert-butyl-N-(6-(9-((2R,3R,4S,5R)-3,4-dihyd...)Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)NCCCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C31H46N6O6/c1-30(2,3)19-13-18(14-20(23(19)39)31(4,5)6)28(42)33-12-10-8-7-9-11-32-26-22-27(35-16-34-26)37(17-36-22)29-25(41)24(40)21(15-38)43-29/h13-14,16-17,21,24-25,29,38-41H,7-12,15H2,1-6H3,(H,33,42)(H,32,34,35)/t21-,24-,25-,29-/m1/s1 | 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 (Parkville Campus)
Curated by ChEMBL
| Assay Description Binding affinity to adenosine A2A receptor |
Bioorg Med Chem Lett 17: 5437-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.035 BindingDB Entry DOI: 10.7270/Q2VX0G7M |
More data for this Ligand-Target Pair | |