Found 2 hits of ki for monomerid = 50108676 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
(Homo sapiens (Human)) | BDBM50108676
(CHEMBL3596502)Show SMILES COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ccc(F)cc4)nn3c(N)nc12 |r| Show InChI InChI=1S/C22H24FN7O/c1-14-12-29(16-8-6-15(23)7-9-16)11-10-28(14)13-19-25-21-17-4-3-5-18(31-2)20(17)26-22(24)30(21)27-19/h3-9,14H,10-13H2,1-2H3,(H2,24,26)/t14-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human adenosine A2A receptor |
Bioorg Med Chem Lett 25: 2958-62 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.036 BindingDB Entry DOI: 10.7270/Q23F4RFG |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50108676
(CHEMBL3596502)Show SMILES COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ccc(F)cc4)nn3c(N)nc12 |r| Show InChI InChI=1S/C22H24FN7O/c1-14-12-29(16-8-6-15(23)7-9-16)11-10-28(14)13-19-25-21-17-4-3-5-18(31-2)20(17)26-22(24)30(21)27-19/h3-9,14H,10-13H2,1-2H3,(H2,24,26)/t14-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human adenosine A1 receptor |
Bioorg Med Chem Lett 25: 2958-62 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.036 BindingDB Entry DOI: 10.7270/Q23F4RFG |
More data for this Ligand-Target Pair | |