BDBM50150075 2-Amino-6-(1H-imidazol-2-ylmethylsulfanyl)-4-(3-methoxy-phenyl)-pyridine-3,5-dicarbonitrile::CHEMBL125979
SMILES: COc1cccc(c1)-c1c(C#N)c(N)nc(SCc2ncc[nH]2)c1C#N
InChI Key: InChIKey=MDNFSVVHVIXDDI-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 |
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Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50150075 (2-Amino-6-(1H-imidazol-2-ylmethylsulfanyl)-4-(3-me...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2 | 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 A3 (Homo sapiens (Human)) | BDBM50150075 (2-Amino-6-(1H-imidazol-2-ylmethylsulfanyl)-4-(3-me...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 74 | 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 A2a (Homo sapiens (Human)) | BDBM50150075 (2-Amino-6-(1H-imidazol-2-ylmethylsulfanyl)-4-(3-me...) | 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 | 105 | 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 A2b (Homo sapiens (Human)) | BDBM50150075 (2-Amino-6-(1H-imidazol-2-ylmethylsulfanyl)-4-(3-me...) | 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 | 34 | 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 |