BDBM50237786 CHEMBL4068634
SMILES: CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12
InChI Key: InChIKey=UGNRHGQTUACYOI-PFHKOEEOSA-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 A3 (Homo sapiens (Human)) | BDBM50237786![]() (CHEMBL4068634) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University Curated by ChEMBL | Assay Description Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting analysis | J Med Chem 60: 3422-3437 (2017) Article DOI: 10.1021/acs.jmedchem.7b00241 BindingDB Entry DOI: 10.7270/Q2J105FT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50237786![]() (CHEMBL4068634) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 232 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University Curated by ChEMBL | Assay Description Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligand | J Med Chem 60: 3422-3437 (2017) Article DOI: 10.1021/acs.jmedchem.7b00241 BindingDB Entry DOI: 10.7270/Q2J105FT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50237786![]() (CHEMBL4068634) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 238 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University Curated by ChEMBL | Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by liquid scintillation analyzer | J Med Chem 60: 3422-3437 (2017) Article DOI: 10.1021/acs.jmedchem.7b00241 BindingDB Entry DOI: 10.7270/Q2J105FT | |||||||||||
More data for this Ligand-Target Pair |