BDBM50150078 2-Amino-4-(3-hydroxy-phenyl)-6-(1H-imidazol-2-ylmethylsulfanyl)-pyridine-3,5-dicarbonitrile::CHEMBL122806
SMILES: Nc1nc(SCc2ncc[nH]2)c(C#N)c(-c2cccc(O)c2)c1C#N
InChI Key: InChIKey=YZZLLEXNNOPPIX-UHFFFAOYSA-N
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)) | BDBM50150078 (2-Amino-4-(3-hydroxy-phenyl)-6-(1H-imidazol-2-ylme...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Leiden Curated by ChEMBL | Assay Description Binding affinity against human adenosine A1 receptor expressed in CHO cells using [3H]DPCPX | J Med Chem 47: 3707-9 (2004) Article DOI: 10.1021/jm049947s BindingDB Entry DOI: 10.7270/Q2833SS3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50150078 (2-Amino-4-(3-hydroxy-phenyl)-6-(1H-imidazol-2-ylme...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL | Assay Description Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membrane by by scintillation counting method | J Med Chem 59: 5922-8 (2016) BindingDB Entry DOI: 10.7270/Q2P84DV8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50150078 (2-Amino-4-(3-hydroxy-phenyl)-6-(1H-imidazol-2-ylme...) | 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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Leiden Curated by ChEMBL | Assay Description Binding affinity against human adenosine A2A receptor expressed in HEK293 cells using [3H]ZM-241385 | J Med Chem 47: 3707-9 (2004) Article DOI: 10.1021/jm049947s BindingDB Entry DOI: 10.7270/Q2833SS3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50150078 (2-Amino-4-(3-hydroxy-phenyl)-6-(1H-imidazol-2-ylme...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL | Assay Description Displacement of [3H]ZM241385 from recombinant human adenosine A2A receptor expressed in HEK293 cell membrane by scintillation counting method | J Med Chem 59: 5922-8 (2016) BindingDB Entry DOI: 10.7270/Q2P84DV8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50150078 (2-Amino-4-(3-hydroxy-phenyl)-6-(1H-imidazol-2-ylme...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 104 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Leiden Curated by ChEMBL | Assay Description Binding affinity against human adenosine A3 receptor expressed on HEK293 cells using [125I]I-AB-MECA | J Med Chem 47: 3707-9 (2004) Article DOI: 10.1021/jm049947s BindingDB Entry DOI: 10.7270/Q2833SS3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50150078 (2-Amino-4-(3-hydroxy-phenyl)-6-(1H-imidazol-2-ylme...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 104 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL | Assay Description Displacement of [125I]I-ABMECA from recombinant human adenosine A3 receptor expressed in HEK293 cell membrane by scintillation counting method | J Med Chem 59: 5922-8 (2016) BindingDB Entry DOI: 10.7270/Q2P84DV8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2b (Homo sapiens (Human)) | BDBM50150078 (2-Amino-4-(3-hydroxy-phenyl)-6-(1H-imidazol-2-ylme...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
University of Leiden Curated by ChEMBL | Assay Description Agonistic activity against human adenosine A2B receptor expressed in CHO cells | J Med Chem 47: 3707-9 (2004) Article DOI: 10.1021/jm049947s BindingDB Entry DOI: 10.7270/Q2833SS3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2b (Homo sapiens (Human)) | BDBM50150078 (2-Amino-4-(3-hydroxy-phenyl)-6-(1H-imidazol-2-ylme...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL | Assay Description Agonist activity at recombinant human adenosine A2B receptor expressed in CHO cells assessed as increase in cAMP production | J Med Chem 59: 5922-8 (2016) BindingDB Entry DOI: 10.7270/Q2P84DV8 | |||||||||||
More data for this Ligand-Target Pair |