BDBM50377556 CHEMBL411034
SMILES: Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3Cl)c2n1
InChI Key: InChIKey=HMUPZJIZTXUIKI-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50377556 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)) | BDBM50377556
(CHEMBL411034)Show SMILES Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3Cl)c2n1 Show InChI InChI=1S/C17H13ClN6O2/c18-11-5-2-1-4-10(11)8-20-17(25)24-9-21-14-13(12-6-3-7-26-12)22-16(19)23-15(14)24/h1-7,9H,8H2,(H,20,25)(H2,19,22,23) | 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 | 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 at human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 2924-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.072 BindingDB Entry DOI: 10.7270/Q23779KZ |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50377556
(CHEMBL411034)Show SMILES Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3Cl)c2n1 Show InChI InChI=1S/C17H13ClN6O2/c18-11-5-2-1-4-10(11)8-20-17(25)24-9-21-14-13(12-6-3-7-26-12)22-16(19)23-15(14)24/h1-7,9H,8H2,(H,20,25)(H2,19,22,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 26 | 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 at human adenosine A1 receptor |
Bioorg Med Chem Lett 18: 2924-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.072 BindingDB Entry DOI: 10.7270/Q23779KZ |
More data for this Ligand-Target Pair | |