Found 2 hits of ki for monomerid = 50369996 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50369996
(CHEMBL611288)Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(CC3CCC(CC3)C(=O)OC)nc12 |r,wU:5.4,wD:8.8,10.11,(-4.53,-5.43,;-3.37,-4.42,;-1.92,-4.92,;-.76,-3.92,;-1.05,-2.41,;.7,-4.42,;2.66,-3.45,;4.64,-4.42,;3.89,-5.94,;4.73,-7.31,;1.43,-5.94,;.57,-7.29,;4.66,-2.89,;3.76,-1.64,;4.66,-.4,;6.11,-.87,;7.43,-.1,;7.43,1.44,;8.78,-.87,;8.78,-2.41,;10.11,-3.17,;10.11,-4.71,;11.44,-5.47,;11.44,-7.01,;10.1,-7.78,;8.78,-7.01,;8.78,-5.48,;10.1,-9.32,;8.76,-10.08,;11.43,-10.09,;11.43,-11.62,;7.43,-3.17,;6.11,-2.41,)| Show InChI InChI=1S/C21H30N6O6/c1-3-23-19(30)16-14(28)15(29)20(33-16)27-9-24-13-17(22)25-12(26-18(13)27)8-10-4-6-11(7-5-10)21(31)32-2/h9-11,14-16,20,28-29H,3-8H2,1-2H3,(H,23,30)(H2,22,25,26)/t10?,11?,14-,15+,16-,20?/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Virginia
Curated by ChEMBL
| Assay Description Binding affinity towards adenosine A2A receptor in rat brain striatum |
J Med Chem 44: 531-9 (2001)
BindingDB Entry DOI: 10.7270/Q20Z740K |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50369996
(CHEMBL611288)Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(CC3CCC(CC3)C(=O)OC)nc12 |r,wU:5.4,wD:8.8,10.11,(-4.53,-5.43,;-3.37,-4.42,;-1.92,-4.92,;-.76,-3.92,;-1.05,-2.41,;.7,-4.42,;2.66,-3.45,;4.64,-4.42,;3.89,-5.94,;4.73,-7.31,;1.43,-5.94,;.57,-7.29,;4.66,-2.89,;3.76,-1.64,;4.66,-.4,;6.11,-.87,;7.43,-.1,;7.43,1.44,;8.78,-.87,;8.78,-2.41,;10.11,-3.17,;10.11,-4.71,;11.44,-5.47,;11.44,-7.01,;10.1,-7.78,;8.78,-7.01,;8.78,-5.48,;10.1,-9.32,;8.76,-10.08,;11.43,-10.09,;11.43,-11.62,;7.43,-3.17,;6.11,-2.41,)| Show InChI InChI=1S/C21H30N6O6/c1-3-23-19(30)16-14(28)15(29)20(33-16)27-9-24-13-17(22)25-12(26-18(13)27)8-10-4-6-11(7-5-10)21(31)32-2/h9-11,14-16,20,28-29H,3-8H2,1-2H3,(H,23,30)(H2,22,25,26)/t10?,11?,14-,15+,16-,20?/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 28.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Virginia
Curated by ChEMBL
| Assay Description Binding affinity towards adenosine A1 receptor in rat brain cortex |
J Med Chem 44: 531-9 (2001)
BindingDB Entry DOI: 10.7270/Q20Z740K |
More data for this Ligand-Target Pair | |