BDBM50176739 4-(3-((4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazol-5-yl)benzonitrile::CHEMBL199895
SMILES: CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccc(cc2)C#N)c1
InChI Key: InChIKey=AUMGXDRTMXHQMJ-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)) | BDBM50176739 (4-(3-((4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydr...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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 |
CV Therapeutics Inc. Curated by ChEMBL | Assay Description Displacement of [3H]ZM241385 from Adenosine A2B receptor expressed in HEK cells | Bioorg Med Chem Lett 16: 302-6 (2005) Article DOI: 10.1016/j.bmcl.2005.10.002 BindingDB Entry DOI: 10.7270/Q2154GM1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50176739 (4-(3-((4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydr...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 570 | 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 Adenosine A1 receptor expressed in CHO cells | Bioorg Med Chem Lett 16: 302-6 (2005) Article DOI: 10.1016/j.bmcl.2005.10.002 BindingDB Entry DOI: 10.7270/Q2154GM1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50176739 (4-(3-((4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydr...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 640 | 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 Adenosine A3 receptor expressed in CHO cells | Bioorg Med Chem Lett 16: 302-6 (2005) Article DOI: 10.1016/j.bmcl.2005.10.002 BindingDB Entry DOI: 10.7270/Q2154GM1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50176739 (4-(3-((4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydr...) | 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 Adenosine A2A receptor expressed in HEK cells | Bioorg Med Chem Lett 16: 302-6 (2005) Article DOI: 10.1016/j.bmcl.2005.10.002 BindingDB Entry DOI: 10.7270/Q2154GM1 | |||||||||||
More data for this Ligand-Target Pair |