BDBM474233 5-[5-amino-7-(4-fluorophenyl)-2-[(3-fluoropyrid in-2-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-8- yl]-l-(propan-2-yl)-l,2-dihydropyridin-2-one::US10858365, Compound 55
SMILES: CC(C)n1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(F)cc1
InChI Key: InChIKey=YIDWZRRYJRXRPX-UHFFFAOYSA-N
Data: 8 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)) | BDBM474233![]() (5-[5-amino-7-(4-fluorophenyl)-2-[(3-fluoropyrid in...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA US Patent | Assay Description The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ... | US Patent US10858365 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM474233![]() (5-[5-amino-7-(4-fluorophenyl)-2-[(3-fluoropyrid in...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA US Patent | Assay Description The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ... | US Patent US10858365 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptors; A2a & A2b (Homo sapiens (Human)) | BDBM474233![]() (5-[5-amino-7-(4-fluorophenyl)-2-[(3-fluoropyrid in...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA US Patent | Assay Description The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ... | US Patent US10858365 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM474233![]() (5-[5-amino-7-(4-fluorophenyl)-2-[(3-fluoropyrid in...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA US Patent | Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen... | US Patent US10858365 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM474233![]() (5-[5-amino-7-(4-fluorophenyl)-2-[(3-fluoropyrid in...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA US Patent | Assay Description The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ... | US Patent US10858365 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptors; A2a & A2b (Homo sapiens (Human)) | BDBM474233![]() (5-[5-amino-7-(4-fluorophenyl)-2-[(3-fluoropyrid in...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | 101 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA US Patent | Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen... | US Patent US10858365 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine A2a receptor (Mus musculus) | BDBM474233![]() (5-[5-amino-7-(4-fluorophenyl)-2-[(3-fluoropyrid in...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA US Patent | Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen... | US Patent US10858365 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM474233![]() (5-[5-amino-7-(4-fluorophenyl)-2-[(3-fluoropyrid in...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | 7.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA US Patent | Assay Description The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ... | US Patent US10858365 (2020) | |||||||||||
More data for this Ligand-Target Pair |