BDBM21240 2-mercaptopyrimidine analogue, 5s::N-[2-(tert-butylsulfanyl)-6-[(4-chlorophenyl)methoxy]pyrimidin-4-yl]acetamide
SMILES: CC(=O)Nc1cc(OCc2ccc(Cl)cc2)nc(SC(C)(C)C)n1
InChI Key: InChIKey=LHNYUIMKOCZPNO-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 A3 (Homo sapiens (Human)) | BDBM21240 (2-mercaptopyrimidine analogue, 5s | N-[2-(tert-but...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita di Napoli | Assay Description The membranes prepared from CHO cells transfected with human adenosine A3 receptors were used in binding assays. Nonspecific binding was determined i... | J Med Chem 51: 1764-70 (2008) Article DOI: 10.1021/jm701159t BindingDB Entry DOI: 10.7270/Q2MP51JK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM21240 (2-mercaptopyrimidine analogue, 5s | N-[2-(tert-but...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Universita di Napoli | Assay Description The membranes prepared from CHO cells transfected with human adenosine A1 receptors were used in binding assays. Nonspecific binding was determined i... | J Med Chem 51: 1764-70 (2008) Article DOI: 10.1021/jm701159t BindingDB Entry DOI: 10.7270/Q2MP51JK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM21240 (2-mercaptopyrimidine analogue, 5s | N-[2-(tert-but...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita di Napoli | Assay Description The membranes prepared from CHO cells transfected with human adenosine A2A receptors were used in binding assays. Nonspecific binding was determined ... | J Med Chem 51: 1764-70 (2008) Article DOI: 10.1021/jm701159t BindingDB Entry DOI: 10.7270/Q2MP51JK | |||||||||||
More data for this Ligand-Target Pair |