BDBM50086159 CHEMBL16488::N-(1-Oxo-2-phenyl-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-benzamide::N-(1-oxo-2-phenyl-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)benzamide
SMILES: O=C(Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)c1ccccc1
InChI Key: InChIKey=HTBRQSCIUVUCRL-UHFFFAOYSA-N
Data: 11 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)) | BDBM50086159 (CHEMBL16488 | N-(1-Oxo-2-phenyl-1,2-dihydro-[1,2,4...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita' di Firenze Curated by ChEMBL | Assay Description Binding affinity towards human adenosine A3 receptor expressed in HEK-293 cells in presence of [125I]-AB-MECA at a concentration of 1 uM | J Med Chem 43: 1158-64 (2000) BindingDB Entry DOI: 10.7270/Q2QR4WBG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50086159 (CHEMBL16488 | N-(1-Oxo-2-phenyl-1,2-dihydro-[1,2,4...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita' di Firenze Curated by ChEMBL | Assay Description Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells | Bioorg Med Chem 16: 6086-102 (2008) Article DOI: 10.1016/j.bmc.2008.04.039 BindingDB Entry DOI: 10.7270/Q2TQ61BG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50086159 (CHEMBL16488 | N-(1-Oxo-2-phenyl-1,2-dihydro-[1,2,4...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Firenze Curated by ChEMBL | Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells | J Med Chem 49: 3916-25 (2006) Article DOI: 10.1021/jm060373w BindingDB Entry DOI: 10.7270/Q25H7FW1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50086159 (CHEMBL16488 | N-(1-Oxo-2-phenyl-1,2-dihydro-[1,2,4...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore Curated by ChEMBL | Assay Description Antagonist activity at human adenosine A3 receptor | Bioorg Med Chem Lett 21: 2898-905 (2011) Article DOI: 10.1016/j.bmcl.2011.03.073 BindingDB Entry DOI: 10.7270/Q2VH5P5Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50086159 (CHEMBL16488 | N-(1-Oxo-2-phenyl-1,2-dihydro-[1,2,4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 87.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita' di Firenze Curated by ChEMBL | Assay Description Displacement of [125I]DPCPX from human cloned adenosine A1 receptor expressed in CHO cells | Bioorg Med Chem 16: 6086-102 (2008) Article DOI: 10.1016/j.bmc.2008.04.039 BindingDB Entry DOI: 10.7270/Q2TQ61BG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50086159 (CHEMBL16488 | N-(1-Oxo-2-phenyl-1,2-dihydro-[1,2,4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 87.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Firenze Curated by ChEMBL | Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells | J Med Chem 49: 3916-25 (2006) Article DOI: 10.1021/jm060373w BindingDB Entry DOI: 10.7270/Q25H7FW1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50086159 (CHEMBL16488 | N-(1-Oxo-2-phenyl-1,2-dihydro-[1,2,4...) | 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 | 88.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Firenze Curated by ChEMBL | Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells | J Med Chem 49: 3916-25 (2006) Article DOI: 10.1021/jm060373w BindingDB Entry DOI: 10.7270/Q25H7FW1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50086159 (CHEMBL16488 | N-(1-Oxo-2-phenyl-1,2-dihydro-[1,2,4...) | 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 | 88.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita' di Firenze Curated by ChEMBL | Assay Description Displacement of [125I]NECA from human cloned adenosine A2A receptor expressed in CHO cells | Bioorg Med Chem 16: 6086-102 (2008) Article DOI: 10.1016/j.bmc.2008.04.039 BindingDB Entry DOI: 10.7270/Q2TQ61BG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine A1 receptor (BOVINE) | BDBM50086159 (CHEMBL16488 | N-(1-Oxo-2-phenyl-1,2-dihydro-[1,2,4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 89.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Firenze Curated by ChEMBL | Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in bovine brain membranes | J Med Chem 49: 3916-25 (2006) Article DOI: 10.1021/jm060373w BindingDB Entry DOI: 10.7270/Q25H7FW1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine A1 receptor (BOVINE) | BDBM50086159 (CHEMBL16488 | N-(1-Oxo-2-phenyl-1,2-dihydro-[1,2,4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 89.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita' di Firenze Curated by ChEMBL | Assay Description Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM | J Med Chem 43: 1158-64 (2000) BindingDB Entry DOI: 10.7270/Q2QR4WBG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine A1 receptor (BOVINE) | BDBM50086159 (CHEMBL16488 | N-(1-Oxo-2-phenyl-1,2-dihydro-[1,2,4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 89.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita' di Firenze Curated by ChEMBL | Assay Description Displacement of [125I]DPCPX from adenosine A1 receptor in bovine brain membrane | Bioorg Med Chem 16: 6086-102 (2008) Article DOI: 10.1016/j.bmc.2008.04.039 BindingDB Entry DOI: 10.7270/Q2TQ61BG | |||||||||||
More data for this Ligand-Target Pair |