BDBM50094682 2-(furan-2-yl)-8-(3-methylbut-2-enyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-8-(3-methyl-but-2-enyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL145623
SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-n1cc2c(n1)nc(-[#7])n1nc(nc21)-c1ccco1
InChI Key: InChIKey=PTQDCTWMECJFBE-UHFFFAOYSA-N
Data: 9 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 A2a (Homo sapiens (Human)) | BDBM50094682 (2-(furan-2-yl)-8-(3-methylbut-2-enyl)-8H-pyrazolo[...) | 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 | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Padova Curated by ChEMBL | Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells | Bioorg Med Chem 17: 5259-74 (2009) Checked by Author Article DOI: 10.1016/j.bmc.2009.05.038 BindingDB Entry DOI: 10.7270/Q23N23FX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50094682 (2-(furan-2-yl)-8-(3-methylbut-2-enyl)-8H-pyrazolo[...) | 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 | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Ferrara Curated by ChEMBL | Assay Description Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 0.65-1.06 | J Med Chem 43: 4768-80 (2000) BindingDB Entry DOI: 10.7270/Q2D21WWT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50094682 (2-(furan-2-yl)-8-(3-methylbut-2-enyl)-8H-pyrazolo[...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 5.42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Ferrara Curated by ChEMBL | Assay Description Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells; range 4.72-6.23 | J Med Chem 43: 4768-80 (2000) BindingDB Entry DOI: 10.7270/Q2D21WWT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2b (Homo sapiens (Human)) | BDBM50094682 (2-(furan-2-yl)-8-(3-methylbut-2-enyl)-8H-pyrazolo[...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Ferrara Curated by ChEMBL | Assay Description Displacement of [3H]-DPCPX from Adenosine A2b receptor expressed in CHO cells; range 8-18 | J Med Chem 43: 4768-80 (2000) BindingDB Entry DOI: 10.7270/Q2D21WWT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50094682 (2-(furan-2-yl)-8-(3-methylbut-2-enyl)-8H-pyrazolo[...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 81 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Ferrara Curated by ChEMBL | Assay Description Displacement of [3H]-MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 691-952 | J Med Chem 43: 4768-80 (2000) BindingDB Entry DOI: 10.7270/Q2D21WWT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50094682 (2-(furan-2-yl)-8-(3-methylbut-2-enyl)-8H-pyrazolo[...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 811 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Padova Curated by ChEMBL | Assay Description Binding affinity for human adenosine A3 receptor | J Med Chem 48: 152-62 (2005) Article DOI: 10.1021/jm049662f BindingDB Entry DOI: 10.7270/Q2183609 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50094682 (2-(furan-2-yl)-8-(3-methylbut-2-enyl)-8H-pyrazolo[...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 811 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Padova Curated by ChEMBL | Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells | Bioorg Med Chem 17: 5259-74 (2009) Checked by Author Article DOI: 10.1016/j.bmc.2009.05.038 BindingDB Entry DOI: 10.7270/Q23N23FX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50094682 (2-(furan-2-yl)-8-(3-methylbut-2-enyl)-8H-pyrazolo[...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 811 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Binding affinity to human adenosine A3 receptor | Citation and Details Article DOI: 10.1007/s00044-013-0849-0 BindingDB Entry DOI: 10.7270/Q22Z18GV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50094682 (2-(furan-2-yl)-8-(3-methylbut-2-enyl)-8H-pyrazolo[...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 8.13E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS) Curated by ChEMBL | Assay Description Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins | Bioorg Med Chem Lett 21: 818-23 (2011) Article DOI: 10.1016/j.bmcl.2010.11.094 BindingDB Entry DOI: 10.7270/Q2XP766Q | |||||||||||
More data for this Ligand-Target Pair |