BDBM21219 12-methyl-10-thia-1,4,5,6,8-pentaazatricyclo[7.3.0.0^{3,7}]dodeca-3(7),4,8-trien-2-one::7-methyl-6,7-dihydro[1,3]thiazolo[3,2-a][1,2,3]triazolo[4,5-d]pyrimidin-9(3H)-one::CHEMBL445664::triazolopyrimidinone, E
SMILES: CC1CSc2nc3nn[nH]c3c(=O)n12
InChI Key: InChIKey=WBHQTBNEJTXXLN-UHFFFAOYSA-N
Data: 6 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)) | BDBM21219 (12-methyl-10-thia-1,4,5,6,8-pentaazatricyclo[7.3.0...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 440 | 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 A3 (Homo sapiens (Human)) | BDBM21219 (12-methyl-10-thia-1,4,5,6,8-pentaazatricyclo[7.3.0...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Napoli"Federico II" Curated by ChEMBL | Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells | J Med Chem 48: 8253-60 (2005) Article DOI: 10.1021/jm050792d BindingDB Entry DOI: 10.7270/Q2RF5VTX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM21219 (12-methyl-10-thia-1,4,5,6,8-pentaazatricyclo[7.3.0...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Napoli"Federico II" Curated by ChEMBL | Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells | J Med Chem 48: 8253-60 (2005) Article DOI: 10.1021/jm050792d BindingDB Entry DOI: 10.7270/Q2RF5VTX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM21219 (12-methyl-10-thia-1,4,5,6,8-pentaazatricyclo[7.3.0...) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Napoli"Federico II" Curated by ChEMBL | Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells | J Med Chem 48: 8253-60 (2005) Article DOI: 10.1021/jm050792d BindingDB Entry DOI: 10.7270/Q2RF5VTX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM21219 (12-methyl-10-thia-1,4,5,6,8-pentaazatricyclo[7.3.0...) | 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 | >1.00E+4 | 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 | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM21219 (12-methyl-10-thia-1,4,5,6,8-pentaazatricyclo[7.3.0...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+4 | >-6.82 | 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 |