BDBM50108018 7-(3-(4-aminophenyl)propyl)-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::7-[3-(4-Amino-phenyl)-propyl]-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL281805
SMILES: Nc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
InChI Key: InChIKey=QXXUKKUVQMADQS-UHFFFAOYSA-N
Data: 7 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)) | BDBM50108018 (7-(3-(4-aminophenyl)propyl)-2-(furan-2-yl)-7H-pyra...) | 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 | 0.220 | 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)) | BDBM50108018 (7-(3-(4-aminophenyl)propyl)-2-(furan-2-yl)-7H-pyra...) | 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 | 0.220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK Curated by ChEMBL | Assay Description Binding affinity against WT human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385 | J Med Chem 46: 4847-59 (2003) Article DOI: 10.1021/jm0300431 BindingDB Entry DOI: 10.7270/Q24M9584 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50108018 (7-(3-(4-aminophenyl)propyl)-2-(furan-2-yl)-7H-pyra...) | 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 | 0.220 | 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 45: 115-26 (2001) BindingDB Entry DOI: 10.7270/Q29Z946T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50108018 (7-(3-(4-aminophenyl)propyl)-2-(furan-2-yl)-7H-pyra...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.16E+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 specific [3H]-DPCPX binding at human Adenosine A1 receptor expressed in CHO cells. | J Med Chem 45: 115-26 (2001) BindingDB Entry DOI: 10.7270/Q29Z946T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2b (Homo sapiens (Human)) | BDBM50108018 (7-(3-(4-aminophenyl)propyl)-2-(furan-2-yl)-7H-pyra...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | >1.00E+4 | 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]-DPCPX binding at human adenosine A2B receptor expressed in HEK-293 cells. | J Med Chem 45: 115-26 (2001) BindingDB Entry DOI: 10.7270/Q29Z946T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50108018 (7-(3-(4-aminophenyl)propyl)-2-(furan-2-yl)-7H-pyra...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+4 | 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)) | BDBM50108018 (7-(3-(4-aminophenyl)propyl)-2-(furan-2-yl)-7H-pyra...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | >1.00E+4 | 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]-MRE3008-F20 binding at human adenosine A3 receptor expressed in CHO cells. | J Med Chem 45: 115-26 (2001) BindingDB Entry DOI: 10.7270/Q29Z946T | |||||||||||
More data for this Ligand-Target Pair |