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SMILES: CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCN=[N+]=[N-]
InChI Key:
| 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 A1 (Homo sapiens (Human)) | BDBM50581957 (CHEMBL5080823) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet  | PC cid PC sid UniChem | Article PubMed | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Antagonist activity at human adenosine A1 receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of forskolin-stimulated cAMP accumula... | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50581957 (CHEMBL5080823) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Antagonist activity at human adenosine A1 receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of NECA-induced cAMP accumulation in ... | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50581957 (CHEMBL5080823) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H] DPCPX from human A1 adenosine receptor expressed in Flp-In-CHO cell membrane incubated for 4 hrs by microbeta scintillation coun... | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50581957 (CHEMBL5080823) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H] DPCPX from human A1 adenosine receptor expressed in Flp-In-CHO cell membrane incubated for 4 hrs by microbeta scintillation coun... | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50581957 (CHEMBL5080823) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H] DPCPX from human adenosine A1 receptor expressed in Flp-In-CHO cell membrane incubated for 3 hrs followed by compound washout an... | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50581957 (CHEMBL5080823) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H] DPCPX from human adenosine A1 receptor expressed in Flp-In-CHO cell membrane incubated for 3 hrs followed by compound washout an... | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50581957 (CHEMBL5080823) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Antagonist activity at human adenosine A3 receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of NECA-induced cAMP accumulation in ... | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adenosine receptor A2b (Homo sapiens (Human)) | BDBM50581957 (CHEMBL5080823) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Antagonist activity at human adenosine A2B receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of NECA-induced cAMP accumulation in... | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50581957 (CHEMBL5080823) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Antagonist activity at human adenosine A2A receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of NECA-induced cAMP accumulation in... | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
