Compound ID |
Cluster
|
Compound Type
|
Target/Cell | Structure | Activity | Assay Description | Source | ||||
---|---|---|---|---|---|---|---|---|---|---|---|
Type
|
Relation
|
Value
|
Unit
|
||||||||
NAs.000061 | 8 | all-match | Adenosine A3 receptor | ![]() |
IC50 | = | 1.0 | nM | Inhibitory concentration against human Adenosine A3 receptor mediated inhibition of cyclic AMP in transfected CHO cells | CHEMBL1145992 | |
NAs.000061 | 8 | all-match | Adenosine A3 receptor | ![]() |
Other | = | 100.0 | % | Maximal agonistic effect at human adenosine A3 receptor in CHO cells at 10 uM by inhibition of forskolin-stimulated cAMP production | CHEMBL1148606 | |
NAs.000061 | 8 | all-match | Adenosine A2a receptor | ![]() |
Ki | = | 158.0 | nM | Displacement of [3H]CGS-21680 from human adenosine A2A receptor transfected in HEK293 cells | CHEMBL1148606 | |
NAs.000061 | 8 | all-match | Adenosine A1 receptor | ![]() |
Ki | = | 89.2 | nM | Displacement of [3H]R-PIA from human adenosine A1 receptor transfected in CHO cells | CHEMBL1148606 | |
NAs.000061 | 8 | all-match | Adenosine A3 receptor | ![]() |
Ki | = | 0.4 | nM | Binding affinity for human Adenosine A3 receptor in CHO cells using [125I]-iodo-AB-MECA | CHEMBL1145992 | |
NAs.000061 | 8 | all-match | Adenosine A3 receptor | ![]() |
Ki | = | 0.4 | nM | Displacement of [125I]AB-MECA from human adenosine A3 receptor transfected in CHO cells | CHEMBL1148606 | |
NAs.000061 | 8 | all-match | Adenosine A2a receptor | ![]() |
Ki | = | 158.0 | nM | Binding affinity for human adenosine A2A receptor in CHO cells using [3H]CGS-21680 | CHEMBL1145992 | |
NAs.000061 | 8 | all-match | Adenosine A1 receptor | ![]() |
Ki | = | 294.0 | nM | Binding affinity for rat Adenosine A1 receptor in CHO cells using [3H]N6-(R)-phenylisopropyladenosine | CHEMBL1145992 | |
NAs.000061 | 8 | all-match | Adenosine A1 receptor | ![]() |
Ki | = | 89.2 | nM | Binding affinity for human Adenosine A1 receptor in CHO cells using [3H]N6-(R)-phenylisopropyladenosine | CHEMBL1145992 | |
NAs.000061 | 8 | all-match | Adenosine A2a receptor | ![]() |
Other | < | 10.0 | % | Percent displacement of [3H]-CGS-21,680 from rat adenosine A2A receptor expressed in CHO cells at 1 uM | CHEMBL1145992 | |
NAs.000697 | 8 | all-match | Adenosine A3 receptor | ![]() |
Other | = | 119.0 | % | Maximal agonistic effect at human adenosine A3 receptor in CHO cells at 10 uM by inhibition of forskolin-stimulated cAMP production | CHEMBL1148606 | |
NAs.000697 | 8 | all-match | Adenosine A3 receptor | ![]() |
Ki | = | 0.28 | nM | Binding affinity to human adenosine A3 receptor | CHEMBL1153082 | |
NAs.000697 | 8 | all-match | Adenosine A2a receptor | ![]() |
Other | = | 20.0 | % | Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in CHO cells at 1 uM | CHEMBL1153082 | |
NAs.000697 | 8 | all-match | Adenosine A1 receptor | ![]() |
Ki | = | 1330.0 | nM | Displacement of [3H]R-PIA from human adenosine A1 receptor expressed in CHO cells | CHEMBL1153082 | |
NAs.000697 | 8 | all-match | Adenosine A3 receptor | ![]() |
Ki | = | 0.28 | nM | Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells | CHEMBL1153082 | |
NAs.000697 | 8 | all-match | Adenosine A2a receptor | ![]() |
Other | = | 20.0 | % | Inhibition of [3H]CGS-21680 binding to human adenosine A2A receptor transfected in HEK293 cells at 10 uM | CHEMBL1148606 | |
NAs.000697 | 8 | all-match | Adenosine A3 receptor | ![]() |
Ki | = | 0.28 | nM | Displacement of [125I]AB-MECA from human adenosine A3 receptor transfected in CHO cells | CHEMBL1148606 | |
NAs.000697 | 8 | all-match | Adenosine A3 receptor | ![]() |
Other | None | None | None | Agonist activity at human adenosine A3 receptor expressed in CHO cells assessed as inhibition of cAMP accumulation | CHEMBL1153082 | |
NAs.000697 | 8 | all-match | Adenosine A3 receptor | ![]() |
Ki | = | 0.28 | nM | Binding affinity for human Adenosine A3 receptor in CHO cells using [125I]-iodo-AB-MECA | CHEMBL1145992 | |
NAs.000697 | 8 | all-match | Adenosine A2a receptor | ![]() |
Ki | = | 6340.0 | nM | Binding affinity for rat adenosine A2A receptor of CHO cells using [3H]CGS-21680 | CHEMBL1145992 | |
NAs.000697 | 8 | all-match | Adenosine A2a receptor | ![]() |
Ki | = | 20.0 | nM | Percent displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells at 10 uM | CHEMBL1145992 | |
NAs.000697 | 8 | all-match | Adenosine A1 receptor | ![]() |
Ki | = | 198.0 | nM | Binding affinity for rat Adenosine A1 receptor in CHO cells using [3H]N6-(R)-phenylisopropyladenosine | CHEMBL1145992 | |
NAs.000697 | 8 | all-match | Adenosine A1 receptor | ![]() |
Ki | = | 1330.0 | nM | Binding affinity for human Adenosine A1 receptor in CHO cells using [3H]N6-(R)-phenylisopropyladenosine | CHEMBL1145992 | |
NAs.000697 | 8 | all-match | Adenosine A3 receptor | ![]() |
IC50 | = | 0.4 | nM | Inhibitory concentration against human Adenosine A3 receptor mediated inhibition of cyclic AMP in transfected CHO cells | CHEMBL1145992 | |
NAs.000697 | 8 | all-match | Adenosine A1 receptor | ![]() |
Ki | = | 1330.0 | nM | Displacement of [3H]R-PIA from human adenosine A1 receptor transfected in CHO cells | CHEMBL1148606 | |
NAs.000723 | 8 | ribose-match | Peroxisome proliferator-activated receptor delta | ![]() |
Ki | = | 0.16 | nM | Displacement of Fluormone-Pan-PPAR Green from human GST-tagged PPARdelta LBD by TR-FRET assay | CHEMBL4017496 | |
NAs.000723 | 8 | ribose-match | Unchecked | ![]() |
Other | = | 738.0 | pg/ml | Induction of adipogenesis in human bone marrow-derived mesenchymal stem cells assessed as adiponectin level at 20 uM measured on day 7 after 48 hrs by ELISA | CHEMBL4017496 | |
NAs.000723 | 8 | ribose-match | Unchecked | ![]() |
Other | None | None | % | Antimigratory activity in Sprague-Dawley rat microglial cells assessed as inhibition of MCP-1 mediated cell migration at 100 nM after 20 mins by inverted confocal microscopy | CHEMBL4007510 | |
NAs.000723 | 8 | ribose-match | Unchecked | ![]() |
Other | None | None | None | Cytotoxicity against Sprague-Dawley rat microglial cells assessed as effect on cell viability up to 50 uM after 24 hrs by presto blue assay | CHEMBL4007510 | |
NAs.000723 | 8 | ribose-match | Adenosine A3 receptor | ![]() |
Other | None | None | None | Agonist activity at human adenosine A3 receptor expressed in CHO cells assessed as inhibition of cAMP accumulation | CHEMBL1153082 | |
NAs.000723 | 8 | ribose-match | Adenosine A3 receptor | ![]() |
Ki | = | 0.38 | nM | Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed CHO cells after 60 mins by gamma counting | CHEMBL1250540 | |
NAs.000723 | 8 | ribose-match | Peroxisome proliferator-activated receptor gamma | ![]() |
Ki | = | 4.6 | nM | Displacement of Fluormone-Pan-PPAR Green from human GST-tagged PPARgamma LBD by TR-FRET assay | CHEMBL4017496 | |
NAs.000723 | 8 | ribose-match | Adenosine receptors; A1 & A3 | ![]() |
Other | = | 508.0 | None | Selectivity for human adenosine A3 receptor over human adenosine A1 receptor | CHEMBL1153082 | |
NAs.000723 | 8 | ribose-match | Adenosine A3 receptor | ![]() |
Ki | = | 0.38 | nM | Binding affinity to human adenosine A3 receptor | CHEMBL1153082 | |
NAs.000723 | 8 | ribose-match | Adenosine A3 receptor | ![]() |
Ki | = | 0.38 | nM | Binding affinity to human adenosine A3 receptor | CHEMBL1944553 | |
NAs.000723 | 8 | ribose-match | Peroxisome proliferator-activated receptor alpha | ![]() |
Other | = | 37.8 | % | Displacement of Fluormone-Pan-PPAR Green from human GST-tagged PPARalpha LBD at 20 uM by TR-FRET assay relative to control | CHEMBL4017496 | |
NAs.000723 | 8 | ribose-match | Adenosine A3 receptor | ![]() |
Ki | = | 0.38 | nM | Displacement of [125I]I-AB-MECA from human A3 adenosine receptor expressed in CHO cell membranes after 60 mins by gamma counting method | CHEMBL4017496 | |
NAs.000723 | 8 | ribose-match | Adenosine A1 receptor | ![]() |
Ki | = | 193.0 | nM | Displacement of [3H]CCPA from human A1 receptor expressed in CHO cell membranes after 60 mins by gamma counting method | CHEMBL4017496 | |
NAs.000723 | 8 | ribose-match | Peroxisome proliferator-activated receptor alpha | ![]() |
Other | None | None | None | Binding affinity to GST-tagged human PPARalpha LBD up to 30 uM incubated for 2 to 6 hrs by TR-FRET assay | CHEMBL4610002 | |
NAs.000723 | 8 | ribose-match | Unchecked | ![]() |
EC50 | = | 20800.0 | nM | Induction of adipogenesis in human MSC incubated for 5 days cotreated with IDX by ELISA | CHEMBL4610002 | |
NAs.000723 | 8 | ribose-match | Peroxisome proliferator-activated receptor gamma | ![]() |
EC50 | = | 4640.0 | nM | Competitive binding affinity to GST-tagged human PPARgamma LBD incubated for 1 to 6 hrs by TR-FRET assay | CHEMBL4610002 | |
NAs.000723 | 8 | ribose-match | Peroxisome proliferator-activated receptor delta | ![]() |
EC50 | = | 41.1 | nM | Competitive binding affinity to GST-tagged human PPARdelta LBD incubated for 1 to 6 hrs by TR-FRET assay | CHEMBL4610002 | |
NAs.000723 | 8 | ribose-match | Peroxisome proliferator-activated receptor gamma | ![]() |
Other | < | 50.0 | % | Partial agonist at PPARgamma LBD (unknown origin) assessed as increase in recruitment of coactivator peptide C33 by TR-FRET assay relative to control | CHEMBL4610002 | |
NAs.000723 | 8 | ribose-match | Peroxisome proliferator-activated receptor delta | ![]() |
EC50 | = | 16700.0 | nM | Antagonist activity at PPARdelta LBD (unknown origin) assessed as increase in recruitment of SMRT ID2 corepressor peptide by TR-FRET assay | CHEMBL4610002 | |
NAs.000723 | 8 | ribose-match | Peroxisome proliferator-activated receptor delta | ![]() |
EC50 | = | 10700.0 | nM | Antagonist at PPARdelta LBD (unknown origin) assessed as increase in recruitment of coactivator peptide C33 cotreated with PPARdelta agonist GW501516 by TR-FRET assay | CHEMBL4610002 | |
NAs.000723 | 8 | ribose-match | Peroxisome proliferator-activated receptor gamma | ![]() |
Other | None | None | None | Partial agonist activity at PPARgamma LBD (unknown origin) assessed as increase in recruitment of coactivator peptide C33 by TR-FRET assay | CHEMBL4610002 | |
NAs.000723 | 8 | ribose-match | Adenosine A1 receptor | ![]() |
Ki | = | 193.0 | nM | Displacement of [3H]R-PIA from human adenosine A1 receptor expressed in CHO cells | CHEMBL1153082 | |
NAs.000723 | 8 | ribose-match | Adenosine A2a receptor | ![]() |
Ki | = | 223.0 | nM | Displacement of [3H]CGS21680 from human A2A adenosine receptor expressed in HEK293 cell membranes after 60 mins by gamma counting method | CHEMBL4017496 | |
NAs.000723 | 8 | ribose-match | Adenosine A2a receptor | ![]() |
Ki | = | 223.0 | nM | Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in CHO cells | CHEMBL1153082 | |
NAs.000723 | 8 | ribose-match | Unchecked | ![]() |
Other | = | 131.0 | pg/ml | Induction of adipogenesis in human bone marrow-derived mesenchymal stem cells assessed as adiponectin level at 4 uM measured on day 7 after 48 hrs by ELISA | CHEMBL4017496 |