BDBM50125912 2-Furan-2-yl-8-methyl-9-methylsulfanyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL281129
SMILES: CSc1n(C)nc2nc(N)n3nc(nc3c12)-c1ccco1
InChI Key: InChIKey=SKDHZLVHBMCDJG-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 A2a (Homo sapiens (Human)) | BDBM50125912 (2-Furan-2-yl-8-methyl-9-methylsulfanyl-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 Patents Similars | Article PubMed | 1.20 | 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]- SCH-58261 binding at human Adenosine A2A receptor expressed in CHO cells | J Med Chem 46: 1229-41 (2003) Article DOI: 10.1021/jm021023m BindingDB Entry DOI: 10.7270/Q28916KP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50125912 (2-Furan-2-yl-8-methyl-9-methylsulfanyl-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 Patents Similars | Article PubMed | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL | Assay Description Binding affinity to human adenosine A2A receptor | J Med Chem 51: 4449-55 (2008) Article DOI: 10.1021/jm701594y BindingDB Entry DOI: 10.7270/Q2T72JBB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50125912 (2-Furan-2-yl-8-methyl-9-methylsulfanyl-8H-pyrazolo...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 8.40 | 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 binding at human Adenosine A1 receptor expressed in CHO cells | J Med Chem 46: 1229-41 (2003) Article DOI: 10.1021/jm021023m BindingDB Entry DOI: 10.7270/Q28916KP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2b (Homo sapiens (Human)) | BDBM50125912 (2-Furan-2-yl-8-methyl-9-methylsulfanyl-8H-pyrazolo...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 10.3 | 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 | J Med Chem 46: 1229-41 (2003) Article DOI: 10.1021/jm021023m BindingDB Entry DOI: 10.7270/Q28916KP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50125912 (2-Furan-2-yl-8-methyl-9-methylsulfanyl-8H-pyrazolo...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 35 | 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 308F20 binding from human Adenosine A3 receptor expressed in CHO cells | J Med Chem 46: 1229-41 (2003) Article DOI: 10.1021/jm021023m BindingDB Entry DOI: 10.7270/Q28916KP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50125912 (2-Furan-2-yl-8-methyl-9-methylsulfanyl-8H-pyrazolo...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 188 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Ferrara Curated by ChEMBL | Assay Description Antagonist activity as inhibition of cAMP generation after agonist-modulation of Adenosine A3 receptor with 100 nM CI-IB-MECA | J Med Chem 46: 1229-41 (2003) Article DOI: 10.1021/jm021023m BindingDB Entry DOI: 10.7270/Q28916KP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50125912 (2-Furan-2-yl-8-methyl-9-methylsulfanyl-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 Patents Similars | Article PubMed | n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Ferrara Curated by ChEMBL | Assay Description Antagonist activity as inhibition of cAMP generation after agonist-modulation of human Adenosine A2A receptor with 100 nM NECA | J Med Chem 46: 1229-41 (2003) Article DOI: 10.1021/jm021023m BindingDB Entry DOI: 10.7270/Q28916KP | |||||||||||
More data for this Ligand-Target Pair |