BDBM50117238 5-Butyl-8-(4-chloro-phenyl)-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL121339
SMILES: CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(Cl)cc1
InChI Key: InChIKey=YXDMIGODCMWMTD-UHFFFAOYSA-N
Data: 4 IC50
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)) | BDBM50117238 (5-Butyl-8-(4-chloro-phenyl)-3H-[1,2,4]triazolo[5,1...) | 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 | n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nutrition Research Institute Curated by ChEMBL | Assay Description Displacement of [3H]-CGS-21,680 binding to human Adenosine A2A receptor expressed in HEK-293 cells | J Med Chem 45: 3703-8 (2002) BindingDB Entry DOI: 10.7270/Q2154GCW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50117238 (5-Butyl-8-(4-chloro-phenyl)-3H-[1,2,4]triazolo[5,1...) | 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 | n/a | n/a | >2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Otsuka Pharmaceutical Factory, Inc. Curated by ChEMBL | Assay Description Displacement of specific [3H]-CGS- 21680 binding at human adenosine A2A receptor expressed in HEK-293 cells | Bioorg Med Chem Lett 14: 3775-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.099 BindingDB Entry DOI: 10.7270/Q21R6PZM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50117238 (5-Butyl-8-(4-chloro-phenyl)-3H-[1,2,4]triazolo[5,1...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a |
Otsuka Pharmaceutical Factory, Inc. Curated by ChEMBL | Assay Description Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells | Bioorg Med Chem Lett 14: 3775-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.099 BindingDB Entry DOI: 10.7270/Q21R6PZM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50117238 (5-Butyl-8-(4-chloro-phenyl)-3H-[1,2,4]triazolo[5,1...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a |
Nutrition Research Institute Curated by ChEMBL | Assay Description Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells | J Med Chem 45: 3703-8 (2002) BindingDB Entry DOI: 10.7270/Q2154GCW | |||||||||||
More data for this Ligand-Target Pair |