BDBM50377448 CHEMBL405234
SMILES: OCCNc1nc(C(=O)c2cccs2)c2sccc2n1
InChI Key: InChIKey=PGCHQXADUKRVDJ-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50377448 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 A2a
(Homo sapiens (Human)) | BDBM50377448
(CHEMBL405234)Show InChI InChI=1S/C13H11N3O2S2/c17-5-4-14-13-15-8-3-7-20-12(8)10(16-13)11(18)9-2-1-6-19-9/h1-3,6-7,17H,4-5H2,(H,14,15,16) | 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
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075 BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50377448
(CHEMBL405234)Show InChI InChI=1S/C13H11N3O2S2/c17-5-4-14-13-15-8-3-7-20-12(8)10(16-13)11(18)9-2-1-6-19-9/h1-3,6-7,17H,4-5H2,(H,14,15,16) | PDB
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 |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075 BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this Ligand-Target Pair | |