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BDBM50151188 5-(4-((5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methyl)piperazin-1-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine::5-[4-(5-Chloro-1-methyl-3-trifluoromethyl-1H-pyrazol-4-ylmethyl)-piperazin-1-yl]-2-furan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine::CHEMBL189192
SMILES: Cn1nc(c(CN2CCN(CC2)c2nc(N)n3nc(nc3n2)-c2ccco2)c1Cl)C(F)(F)F
InChI Key: InChIKey=BTPRCXIXYZWERG-UHFFFAOYSA-N
Data: 8 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 Receptors A2a (A2a) (Rattus norvegicus (rat)) | BDBM50151188 (5-(4-((5-chloro-1-methyl-3-(trifluoromethyl)-1H-py...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet  | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc. Curated by ChEMBL | Assay Description Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane | J Med Chem 47: 6218-29 (2004) Article DOI: 10.1021/jm0494321 BindingDB Entry DOI: 10.7270/Q20V8DM9 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat)) | BDBM50151188 (5-(4-((5-chloro-1-methyl-3-(trifluoromethyl)-1H-py...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc. Curated by ChEMBL | Assay Description Inhibition of [3H]-ZM-241,385 binidng to rat brain adenosine A2a receptor | J Med Chem 47: 4291-9 (2004) Article DOI: 10.1021/jm0498405 BindingDB Entry DOI: 10.7270/Q2805235 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50151188 (5-(4-((5-chloro-1-methyl-3-(trifluoromethyl)-1H-py...) | 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 | 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc. Curated by ChEMBL | Assay Description Selectivity for recombinant human adenosine A2a receptor | J Med Chem 47: 4291-9 (2004) Article DOI: 10.1021/jm0498405 BindingDB Entry DOI: 10.7270/Q2805235 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50151188 (5-(4-((5-chloro-1-methyl-3-(trifluoromethyl)-1H-py...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc. Curated by ChEMBL | Assay Description Displacement of [3h]DPCPX from adenosine A receptor in rat cerebral cortex membrane | J Med Chem 47: 6218-29 (2004) Article DOI: 10.1021/jm0494321 BindingDB Entry DOI: 10.7270/Q20V8DM9 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50151188 (5-(4-((5-chloro-1-methyl-3-(trifluoromethyl)-1H-py...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc. Curated by ChEMBL | Assay Description Inhibition of [3H]-DPCPX binding to rat cerebral cortex adenosine A1 receptor | J Med Chem 47: 4291-9 (2004) Article DOI: 10.1021/jm0498405 BindingDB Entry DOI: 10.7270/Q2805235 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50151188 (5-(4-((5-chloro-1-methyl-3-(trifluoromethyl)-1H-py...) | 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 |
Biogen Idec, Inc. Curated by ChEMBL | Assay Description Selectivity for recombinant human adenosine A3 receptor | J Med Chem 47: 4291-9 (2004) Article DOI: 10.1021/jm0498405 BindingDB Entry DOI: 10.7270/Q2805235 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50151188 (5-(4-((5-chloro-1-methyl-3-(trifluoromethyl)-1H-py...) | PDB 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 |
Biogen Idec, Inc. Curated by ChEMBL | Assay Description Selectivity for recombinant human adenosine A1 receptor | J Med Chem 47: 4291-9 (2004) Article DOI: 10.1021/jm0498405 BindingDB Entry DOI: 10.7270/Q2805235 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adenosine receptor A2b (Homo sapiens (Human)) | BDBM50151188 (5-(4-((5-chloro-1-methyl-3-(trifluoromethyl)-1H-py...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc. Curated by ChEMBL | Assay Description Selectivity for recombinant human adenosine A2b receptor | J Med Chem 47: 4291-9 (2004) Article DOI: 10.1021/jm0498405 BindingDB Entry DOI: 10.7270/Q2805235 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
