BDBM21216 2-[4-(ethylsulfanyl)-1H-1,3-benzodiazol-2-yl]quinoxaline::2-[4-(ethylsulfanyl)-1H-benzimidazol-2-yl]quinoxaline::CHEMBL198008::benzimidazole-quinoxaline, C2
SMILES: CCSc1cccc2nc([nH]c12)-c1cnc2ccccc2n1
InChI Key: InChIKey=IHVQPVYBIZVMSJ-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 A1 (Homo sapiens (Human)) | BDBM21216 (2-[4-(ethylsulfanyl)-1H-1,3-benzodiazol-2-yl]quino...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.5 | -12.7 | 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 A1 (Homo sapiens (Human)) | BDBM21216 (2-[4-(ethylsulfanyl)-1H-1,3-benzodiazol-2-yl]quino...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.5 | 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 A3 (Homo sapiens (Human)) | BDBM21216 (2-[4-(ethylsulfanyl)-1H-1,3-benzodiazol-2-yl]quino...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 955 | 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)) | BDBM21216 (2-[4-(ethylsulfanyl)-1H-1,3-benzodiazol-2-yl]quino...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 955 | 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 A2a (Homo sapiens (Human)) | BDBM21216 (2-[4-(ethylsulfanyl)-1H-1,3-benzodiazol-2-yl]quino...) | 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 | 3.44E+3 | 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)) | BDBM21216 (2-[4-(ethylsulfanyl)-1H-1,3-benzodiazol-2-yl]quino...) | 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 | 3.44E+3 | 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 |