BDBM50415179 CHEMBL603861

SMILES COCCn1c(=O)n(Cc2ccco2)c2nc(Cc3c(F)cccc3F)n(C)c2c1=O

InChI Key InChIKey=ACRHQCILRCGEKI-UHFFFAOYSA-N

Data  3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50415179   

TargetAdenosine receptor A2b(Homo sapiens (Human))
Universidade de Santiago de Compostela

Curated by ChEMBL
LigandPNGBDBM50415179(CHEMBL603861)
Show SMILES COCCn1c(=O)n(Cc2ccco2)c2nc(Cc3c(F)cccc3F)n(C)c2c1=O
Show InChI InChI=1S/C21H20F2N4O4/c1-25-17(11-14-15(22)6-3-7-16(14)23)24-19-18(25)20(28)26(8-10-30-2)21(29)27(19)12-13-5-4-9-31-13/h3-7,9H,8,10-12H2,1-2H3
Affinity DataKi:  38.9nMAssay Description:Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Universidade de Santiago de Compostela

Curated by ChEMBL
LigandPNGBDBM50415179(CHEMBL603861)
Show SMILES COCCn1c(=O)n(Cc2ccco2)c2nc(Cc3c(F)cccc3F)n(C)c2c1=O
Show InChI InChI=1S/C21H20F2N4O4/c1-25-17(11-14-15(22)6-3-7-16(14)23)24-19-18(25)20(28)26(8-10-30-2)21(29)27(19)12-13-5-4-9-31-13/h3-7,9H,8,10-12H2,1-2H3
Affinity DataKi:  195nMAssay Description:Displacement of [3H]DPCPX form adenosine A1 receptor in rat cortex membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Universidade de Santiago de Compostela

Curated by ChEMBL
LigandPNGBDBM50415179(CHEMBL603861)
Show SMILES COCCn1c(=O)n(Cc2ccco2)c2nc(Cc3c(F)cccc3F)n(C)c2c1=O
Show InChI InChI=1S/C21H20F2N4O4/c1-25-17(11-14-15(22)6-3-7-16(14)23)24-19-18(25)20(28)26(8-10-30-2)21(29)27(19)12-13-5-4-9-31-13/h3-7,9H,8,10-12H2,1-2H3
Affinity DataKi:  490nMAssay Description:Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cells by microplate beta scintillation countingMore data for this Ligand-Target Pair