BDBM50117109 1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-pyridin-4-yl-urea::5-[[(4-pyridyl)-amino]carbonyl]amino-8-methyl-2-(2-furyl)-pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL332091
SMILES: Cn1cc2c(n1)nc(NC(=O)Nc1ccncc1)n1nc(nc21)-c1ccco1
InChI Key: InChIKey=KHRCLUNNZRRZTF-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)) | BDBM50117109 (1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]...) | Reactome pathway KEGG DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Ferrara Curated by ChEMBL | Assay Description Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter | J Med Chem 55: 5676-703 (2012) Article DOI: 10.1021/jm300087j BindingDB Entry DOI: 10.7270/Q25H7HDK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50117109 (1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]...) | Reactome pathway KEGG DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Siena Curated by ChEMBL | Assay Description Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells | J Med Chem 49: 4085-97 (2006) Article DOI: 10.1021/jm051112+ BindingDB Entry DOI: 10.7270/Q2KK9BC7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50117109 (1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]...) | Reactome pathway KEGG DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Ferrara Curated by ChEMBL | Assay Description Displacement of [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting | Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50117109 (1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]...) | Reactome pathway KEGG DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Displacement of [3H]-MRE 3008-F20 from Human Adenosine A3 receptor expressed in HEK-293 cells | J Med Chem 45: 3579-82 (2002) BindingDB Entry DOI: 10.7270/Q2SN08B3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50117109 (1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]...) | Reactome pathway KEGG DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Trieste Curated by ChEMBL | Assay Description Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in HEK293 cells | J Med Chem 49: 1720-9 (2006) Article DOI: 10.1021/jm051147+ BindingDB Entry DOI: 10.7270/Q26974CT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50117109 (1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]...) | PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Ferrara Curated by ChEMBL | Assay Description Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting | Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50117109 (1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]...) | PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Displacement of [3H]-ZM 241385 from Human Adenosine A2a receptor expressed in HEK-293 cells | J Med Chem 45: 3579-82 (2002) BindingDB Entry DOI: 10.7270/Q2SN08B3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50117109 (1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]...) | PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Trieste Curated by ChEMBL | Assay Description Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in HEK293 cells | J Med Chem 49: 1720-9 (2006) Article DOI: 10.1021/jm051147+ BindingDB Entry DOI: 10.7270/Q26974CT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50117109 (1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]...) | PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Ferrara Curated by ChEMBL | Assay Description Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in CHO cells after 60 mins by gamma counter | J Med Chem 55: 5676-703 (2012) Article DOI: 10.1021/jm300087j BindingDB Entry DOI: 10.7270/Q25H7HDK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2b (Homo sapiens (Human)) | BDBM50117109 (1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]...) | NCI pathway Reactome pathway KEGG DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Displacement of [3H]-DPCPX from Human Adenosine A2B receptor expressed in HEK-293 cells | J Med Chem 45: 3579-82 (2002) BindingDB Entry DOI: 10.7270/Q2SN08B3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2b (Homo sapiens (Human)) | BDBM50117109 (1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]...) | NCI pathway Reactome pathway KEGG DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Ferrara Curated by ChEMBL | Assay Description Displacement of [3H]-DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins | Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50117109 (1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]...) | PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Ferrara Curated by ChEMBL | Assay Description Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting | Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50117109 (1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]...) | PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Displacement of [3H]-DPCPX from Human Adenosine A1 receptor expressed in CHO cells | J Med Chem 45: 3579-82 (2002) BindingDB Entry DOI: 10.7270/Q2SN08B3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50117109 (1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]...) | PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Trieste Curated by ChEMBL | Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells | J Med Chem 49: 1720-9 (2006) Article DOI: 10.1021/jm051147+ BindingDB Entry DOI: 10.7270/Q26974CT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50117109 (1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]...) | PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Ferrara Curated by ChEMBL | Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 60 mins by gamma counter | J Med Chem 55: 5676-703 (2012) Article DOI: 10.1021/jm300087j BindingDB Entry DOI: 10.7270/Q25H7HDK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50117109 (1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]...) | Reactome pathway KEGG DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Ferrara Curated by ChEMBL | Assay Description Antagonist activity at human adenosine A3 receptor expressed in CHO cells assessed as blockade of Cl-IB-MECA-mediated inhibition of forskolin-stimula... | J Med Chem 55: 5676-703 (2012) Article DOI: 10.1021/jm300087j BindingDB Entry DOI: 10.7270/Q25H7HDK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2b (Homo sapiens (Human)) | BDBM50117109 (1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]...) | NCI pathway Reactome pathway KEGG DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Trieste Curated by ChEMBL | Assay Description Inhibition of NECA-stimulated cAMP accumulation in CHO cells expressing human adenosine A2B receptor | J Med Chem 49: 1720-9 (2006) Article DOI: 10.1021/jm051147+ BindingDB Entry DOI: 10.7270/Q26974CT | |||||||||||
More data for this Ligand-Target Pair |