BDBM50233097 8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-1-(cyclopropylmethyl)-1H-purine-2,6(3H,7H)-dione::CHEMBL404349
SMILES: FC(F)(F)c1cccc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)c1
InChI Key: InChIKey=MEVIOSZNKOHQTG-UHFFFAOYSA-N
Data: 4 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 A2b (Homo sapiens (Human)) | BDBM50233097 (8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics Inc. Curated by ChEMBL | Assay Description Displacement of [3H]-ZM241385 from human A2B receptor expressed in HEK293 cell membranes | Bioorg Med Chem Lett 18: 1397-401 (2008) Article DOI: 10.1016/j.bmcl.2008.01.008 BindingDB Entry DOI: 10.7270/Q2319VMQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50233097 (8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics Inc. Curated by ChEMBL | Assay Description Displacement of [125I]-AB-MECA from human A3 receptor expressed in CHO cells | Bioorg Med Chem Lett 18: 1397-401 (2008) Article DOI: 10.1016/j.bmcl.2008.01.008 BindingDB Entry DOI: 10.7270/Q2319VMQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50233097 (8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...) | 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 | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics Inc. Curated by ChEMBL | Assay Description Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell membranes | Bioorg Med Chem Lett 18: 1397-401 (2008) Article DOI: 10.1016/j.bmcl.2008.01.008 BindingDB Entry DOI: 10.7270/Q2319VMQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50233097 (8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics Inc. Curated by ChEMBL | Assay Description Displacement of [3H]-CPX from human A1 receptor expressed in CHO cell membranes | Bioorg Med Chem Lett 18: 1397-401 (2008) Article DOI: 10.1016/j.bmcl.2008.01.008 BindingDB Entry DOI: 10.7270/Q2319VMQ | |||||||||||
More data for this Ligand-Target Pair |