BDBM50453675 CHEMBL2113400
SMILES: CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)c3cccc(I)c3)nc(Cl)nc12
InChI Key: InChIKey=NLGWGPUWPWMVPP-HBGPKNEHSA-N
Data: 3 KI
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 and A3 (Rattus norvegicus) | BDBM50453675 (CHEMBL2113400) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description Binding affinity against adenosine A3 receptor from rat brain. | J Med Chem 38: 1720-35 (1995) BindingDB Entry DOI: 10.7270/Q21Z453H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat)) | BDBM50453675 (CHEMBL2113400) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description Binding affinity against adenosine A2A receptor from rat brain. | J Med Chem 38: 1720-35 (1995) BindingDB Entry DOI: 10.7270/Q21Z453H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50453675 (CHEMBL2113400) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 820 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description Binding affinity against adenosine A1 receptor from rat brain. | J Med Chem 38: 1720-35 (1995) BindingDB Entry DOI: 10.7270/Q21Z453H | |||||||||||
More data for this Ligand-Target Pair |