BDBM50051234 2-(furan-2-yl)-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL16867::N-[2-Furan-2-yl-8-(3-phenyl-propyl)-2,8-dihydro-3H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-phenoxy-acetamide
SMILES: Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1
InChI Key: InChIKey=PUYNLRZJFOQWRV-UHFFFAOYSA-N
Data: 23 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)) | BDBM50051234 (2-(furan-2-yl)-8-phenethyl-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 | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Trieste Curated by ChEMBL | Assay Description Displacement of [3H]-ZM-241,385 from human adenosine A2A receptors expressed in HEK-293 cells | J Med Chem 46: 4287-96 (2003) Article DOI: 10.1021/jm030852k BindingDB Entry DOI: 10.7270/Q2348JRF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50051234 (2-(furan-2-yl)-8-phenethyl-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 | 0.310 | 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 specific [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK-293 cells | J Med Chem 42: 4473-8 (1999) BindingDB Entry DOI: 10.7270/Q26972RX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50051234 (2-(furan-2-yl)-8-phenethyl-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 | 0.340 | 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)) | BDBM50051234 (2-(furan-2-yl)-8-phenethyl-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 | 0.340 | 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 0.22-0.44 | J Med Chem 43: 4768-80 (2000) BindingDB Entry DOI: 10.7270/Q2D21WWT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat)) | BDBM50051234 (2-(furan-2-yl)-8-phenethyl-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 | 0.700 | 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 Adenosine A2A receptor in rat striatal membranes | J Med Chem 42: 4473-8 (1999) BindingDB Entry DOI: 10.7270/Q26972RX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50051234 (2-(furan-2-yl)-8-phenethyl-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 | 1 | 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 | J Med Chem 42: 4473-8 (1999) BindingDB Entry DOI: 10.7270/Q26972RX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50051234 (2-(furan-2-yl)-8-phenethyl-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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università 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 46: 4287-96 (2003) Article DOI: 10.1021/jm030852k BindingDB Entry DOI: 10.7270/Q2348JRF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50051234 (2-(furan-2-yl)-8-phenethyl-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 | 1 | 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 0.66-1.51 | J Med Chem 43: 4768-80 (2000) BindingDB Entry DOI: 10.7270/Q2D21WWT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat)) | BDBM50051234 (2-(furan-2-yl)-8-phenethyl-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 | Article | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding ability of adenosine A2a receptor by using [3H]-CGS- as radioligand in rat striatal homogenate | Bioorg Med Chem Lett 4: 2539-2544 (1994) Article DOI: 10.1016/S0960-894X(01)80279-1 BindingDB Entry DOI: 10.7270/Q2Q81D1P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat)) | BDBM50051234 (2-(furan-2-yl)-8-phenethyl-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 | Article PubMed | 1.40 | 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 Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal homogenates. | J Med Chem 39: 1164-71 (1996) Article DOI: 10.1021/jm950746l BindingDB Entry DOI: 10.7270/Q2NP23H4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50051234 (2-(furan-2-yl)-8-phenethyl-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 | 2.03 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Trieste Curated by ChEMBL | Assay Description Displacement of [3H]-MRE3008-F20 from human A3 receptors expressed in HEK-293 cells | J Med Chem 46: 4287-96 (2003) Article DOI: 10.1021/jm030852k BindingDB Entry DOI: 10.7270/Q2348JRF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50051234 (2-(furan-2-yl)-8-phenethyl-8H-pyrazolo[4,3-e][1,2,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.20 | 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 A1 receptor of rat brain membranes | J Med Chem 42: 4473-8 (1999) BindingDB Entry DOI: 10.7270/Q26972RX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50051234 (2-(furan-2-yl)-8-phenethyl-8H-pyrazolo[4,3-e][1,2,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.70 | 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 Inhibition of [3H]-CHA binding to Adenosine A1 receptor in rat whole brain homogenates. | J Med Chem 39: 1164-71 (1996) Article DOI: 10.1021/jm950746l BindingDB Entry DOI: 10.7270/Q2NP23H4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50051234 (2-(furan-2-yl)-8-phenethyl-8H-pyrazolo[4,3-e][1,2,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding ability of adenosine A1 receptor by using [3H]-CHA as radioligand in rat whole brain homogenate | Bioorg Med Chem Lett 4: 2539-2544 (1994) Article DOI: 10.1016/S0960-894X(01)80279-1 BindingDB Entry DOI: 10.7270/Q2Q81D1P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2b (Homo sapiens (Human)) | BDBM50051234 (2-(furan-2-yl)-8-phenethyl-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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Trieste Curated by ChEMBL | Assay Description Displacement of [3H]-DPCPX from human adenosine A2B receptor expressed in HEK-293 cells | J Med Chem 46: 4287-96 (2003) Article DOI: 10.1021/jm030852k BindingDB Entry DOI: 10.7270/Q2348JRF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2b (Homo sapiens (Human)) | BDBM50051234 (2-(furan-2-yl)-8-phenethyl-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 | 5.10 | 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 3.9-6.7 | 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)) | BDBM50051234 (2-(furan-2-yl)-8-phenethyl-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 | 280 | 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)) | BDBM50051234 (2-(furan-2-yl)-8-phenethyl-8H-pyrazolo[4,3-e][1,2,...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 280 | 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)) | BDBM50051234 (2-(furan-2-yl)-8-phenethyl-8H-pyrazolo[4,3-e][1,2,...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 280 | 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 247-317 | 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)) | BDBM50051234 (2-(furan-2-yl)-8-phenethyl-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 | 280 | 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 A3 (Homo sapiens (Human)) | BDBM50051234 (2-(furan-2-yl)-8-phenethyl-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 | 2.79E+3 | 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)) | BDBM50051234 (2-(furan-2-yl)-8-phenethyl-8H-pyrazolo[4,3-e][1,2,...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.79E+3 | 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 [125]AB-MECA from human Adenosine A3 receptor expressed in HEK-293 cells | J Med Chem 42: 4473-8 (1999) BindingDB Entry DOI: 10.7270/Q26972RX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50051234 (2-(furan-2-yl)-8-phenethyl-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 | 2.82E+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 |