BDBM50051347 3,5,7-Triethoxy-2-phenyl-chromen-4-one::CHEMBL72862

SMILES CCOc1cc(OCC)c2c(c1)oc(-c1ccccc1)c(OCC)c2=O

InChI Key InChIKey=YMQQPRDUZIXHBJ-UHFFFAOYSA-N

Data  6 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50051347   

TargetAdenosine receptor A3(Homo sapiens (Human))
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50051347(3,5,7-Triethoxy-2-phenyl-chromen-4-one | CHEMBL728...)
Show SMILES CCOc1cc(OCC)c2c(c1)oc(-c1ccccc1)c(OCC)c2=O
Show InChI InChI=1S/C21H22O5/c1-4-23-15-12-16(24-5-2)18-17(13-15)26-20(14-10-8-7-9-11-14)21(19(18)22)25-6-3/h7-13H,4-6H2,1-3H3
Affinity DataKi:  363nMAssay Description:Ability to displace [125I]-AB-MECA binding from adenosine A3 receptor.Checked by AuthorMore data for this Ligand-Target Pair
TargetAdenosine receptor A3(Homo sapiens (Human))
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50051347(3,5,7-Triethoxy-2-phenyl-chromen-4-one | CHEMBL728...)
Show SMILES CCOc1cc(OCC)c2c(c1)oc(-c1ccccc1)c(OCC)c2=O
Show InChI InChI=1S/C21H22O5/c1-4-23-15-12-16(24-5-2)18-17(13-15)26-20(14-10-8-7-9-11-14)21(19(18)22)25-6-3/h7-13H,4-6H2,1-3H3
Affinity DataKi:  364nMAssay Description:Binding affinity against human adenosine A3 receptor in HEK293 cells using [125I]-AB-MECA 21680 radioligand.More data for this Ligand-Target Pair
TargetAdenosine receptor A1(Rattus norvegicus (rat))
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50051347(3,5,7-Triethoxy-2-phenyl-chromen-4-one | CHEMBL728...)
Show SMILES CCOc1cc(OCC)c2c(c1)oc(-c1ccccc1)c(OCC)c2=O
Show InChI InChI=1S/C21H22O5/c1-4-23-15-12-16(24-5-2)18-17(13-15)26-20(14-10-8-7-9-11-14)21(19(18)22)25-6-3/h7-13H,4-6H2,1-3H3
Affinity DataKi:  603nMAssay Description:Ability to displace [3H]N6-phenylisopropyladenosine binding from adenosine A1 receptor.Checked by AuthorMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Rattus norvegicus (rat))
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50051347(3,5,7-Triethoxy-2-phenyl-chromen-4-one | CHEMBL728...)
Show SMILES CCOc1cc(OCC)c2c(c1)oc(-c1ccccc1)c(OCC)c2=O
Show InChI InChI=1S/C21H22O5/c1-4-23-15-12-16(24-5-2)18-17(13-15)26-20(14-10-8-7-9-11-14)21(19(18)22)25-6-3/h7-13H,4-6H2,1-3H3
Affinity DataKi:  603nMAssay Description:Binding affinity at Adenosine A1 receptor in rat brain membranes by [3H]-PIA displacement.More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50051347(3,5,7-Triethoxy-2-phenyl-chromen-4-one | CHEMBL728...)
Show SMILES CCOc1cc(OCC)c2c(c1)oc(-c1ccccc1)c(OCC)c2=O
Show InChI InChI=1S/C21H22O5/c1-4-23-15-12-16(24-5-2)18-17(13-15)26-20(14-10-8-7-9-11-14)21(19(18)22)25-6-3/h7-13H,4-6H2,1-3H3
Affinity DataKi:  3.31E+3nMAssay Description:Ability to displace [3H]-CGS- 21680 binding from adenosine A2A receptor.Checked by AuthorMore data for this Ligand-Target Pair
TargetAdenosine receptor A3(Rattus norvegicus)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50051347(3,5,7-Triethoxy-2-phenyl-chromen-4-one | CHEMBL728...)
Show SMILES CCOc1cc(OCC)c2c(c1)oc(-c1ccccc1)c(OCC)c2=O
Show InChI InChI=1S/C21H22O5/c1-4-23-15-12-16(24-5-2)18-17(13-15)26-20(14-10-8-7-9-11-14)21(19(18)22)25-6-3/h7-13H,4-6H2,1-3H3
Affinity DataKi:  1.82E+4nMAssay Description:Binding affinity for [125I]-AB-MECA against rat Adenosine A3 receptorMore data for this Ligand-Target Pair