BDBM50150077 2-((1H-imidazol-2-yl)methylthio)-6-amino-4-phenylpyridine-3,5-dicarbonitrile::2-Amino-6-(1H-imidazol-2-ylmethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile::CHEMBL124345
SMILES: Nc1nc(SCc2ncc[nH]2)c(C#N)c(-c2ccccc2)c1C#N
InChI Key: InChIKey=MUJWBVGOOQHTTJ-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)) | BDBM50150077 (2-((1H-imidazol-2-yl)methylthio)-6-amino-4-phenylp...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 2.40 | 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 A2a (Homo sapiens (Human)) | BDBM50150077 (2-((1H-imidazol-2-yl)methylthio)-6-amino-4-phenylp...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 28 | 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 | 3D Structure (crystal) | ||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50150077 (2-((1H-imidazol-2-yl)methylthio)-6-amino-4-phenylp...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 171 | 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 A2b (Homo sapiens (Human)) | BDBM50150077 (2-((1H-imidazol-2-yl)methylthio)-6-amino-4-phenylp...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 19 | 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 |