BDBM50117108 4-[3-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-ureido]-pyridinium; chloride::5-[[(4-pyridyl)-amino]carbonyl]amino-8-methyl-2-(2-furyl)-pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine hydrochloride::CHEMBL118923
SMILES: Cn1cc2c(n1)nc(NC(=O)Nc1cc[nH+]cc1)n1nc(nc21)-c1ccco1
InChI Key: InChIKey=KHRCLUNNZRRZTF-UHFFFAOYSA-O
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)) | BDBM50117108 (4-[3-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem 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 [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter | J Med Chem 55: 5380-90 (2012) Article DOI: 10.1021/jm300323t BindingDB Entry DOI: 10.7270/Q2CN7509 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50117108 (4-[3-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0100 | 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)) | BDBM50117108 (4-[3-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0140 | 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 Receptors A2a (A2a) (Rattus norvegicus (rat)) | BDBM50117108 (4-[3-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 97.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity against rat adenosine A2A receptor in RBL-2H3 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)) | BDBM50117108 (4-[3-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 100 | 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)) | BDBM50117108 (4-[3-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2...) | 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 | 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]ZM241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by scintillation counter | J Med Chem 55: 5380-90 (2012) Article DOI: 10.1021/jm300323t BindingDB Entry DOI: 10.7270/Q2CN7509 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50117108 (4-[3-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2...) | 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 | 110 | 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 A1 (Rattus norvegicus (rat)) | BDBM50117108 (4-[3-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 226 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity against rat adenosine A1 receptor in RBL-2H3 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)) | BDBM50117108 (4-[3-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem 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 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)) | BDBM50117108 (4-[3-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem 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 Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production | J Med Chem 55: 5380-90 (2012) Article DOI: 10.1021/jm300323t BindingDB Entry DOI: 10.7270/Q2CN7509 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50117108 (4-[3-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem 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]DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by scintillation counter | J Med Chem 55: 5380-90 (2012) Article DOI: 10.1021/jm300323t BindingDB Entry DOI: 10.7270/Q2CN7509 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50117108 (4-[3-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 350 | 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)) | BDBM50117108 (4-[3-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 355 | 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 A2a and A3 (Rattus norvegicus) | BDBM50117108 (4-[3-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity against rat adenosine A3 receptor in RBL-2H3 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)) | BDBM50117108 (4-[3-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem 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 | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50117108 (4-[3-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory activity against Human Adenosine A3 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 |