Showing 1 to 50 of 82 entries Per page:
Compound ID
Cluster
Compound Type
Target/Cell Structure Activity Assay Description Source
Type
Relation
Value
Unit
NAs.000079 2 ribose-match Adenosine A1 receptor NAs.000079 Other = 23.0 % Percent displacement of [3H]DPCPX binding to adenosine A1 receptors of bovine cortical membranes at 0.00005 M CHEMBL1144357
NAs.000079 2 ribose-match Adenosine A2a receptor NAs.000079 Other = 21.0 % Percent displacement of [3H]CGS-21680 binding to adenosine A2A receptors of bovine striatal membranes at 0.00005 M CHEMBL1144357
NAs.000079 2 ribose-match Adenosine A3 receptor NAs.000079 Other = 15.0 % Percent displacement of [125I]AB-MECA binding to adenosine A3 receptors of bovine cortical membranes at 0.00005 M CHEMBL1144357
NAs.000250 2 all-match Caco-2 NAs.000250 GI50 = 24300.0 nM Antiproliferative activity against human Caco2 cells after 72 hrs by MTS assay CHEMBL1772936
NAs.000250 2 all-match HT-29 NAs.000250 GI50 = 26100.0 nM Antiproliferative activity against human HT-29 cells after 72 hrs by MTS assay CHEMBL1772936
NAs.000250 2 all-match MCF7 NAs.000250 GI50 = 22400.0 nM Antiproliferative activity against human MCF7 cells after 72 hrs by MTS assay CHEMBL1772936
NAs.000250 2 all-match NON-PROTEIN TARGET NAs.000250 Other None None None Cytotoxicity against human HL60 cells at 20 to 100 uM after 24 to 48 hrs in presence of 2 mM VPA by trypan blue dye exclusion method CHEMBL3351354
NAs.000250 2 all-match NON-PROTEIN TARGET NAs.000250 Other None None None Cytotoxicity against human HL60 cells at 20 to 100 uM after 24 to 48 hrs in presence of 1 mM VPA by trypan blue dye exclusion method CHEMBL3351354
NAs.000250 2 all-match HL-60 NAs.000250 Other = 90.0 % Induction of apoptosis in human HL60 cells at 20 uM in presence of 2 mM VPA after 24 to 48 hrs by acridine orange and ethidium bromide staining based fluorescence microscopy CHEMBL3351354
NAs.000250 2 all-match HL-60 NAs.000250 Other None None None Induction of apoptosis in human HL60 cells at 20 uM in presence of 1 mM VPA after 24 to 48 hrs by acridine orange and ethidium bromide staining based fluorescence microscopy CHEMBL3351354
NAs.000250 2 all-match NON-PROTEIN TARGET NAs.000250 IC50 = 15600.0 nM Growth inhibition of human HL60 cells after 48 hrs by MTT assay CHEMBL3351354
NAs.000250 2 all-match K562 NAs.000250 IC50 = 9400.0 nM Growth inhibition of human K562 cells after 48 hrs by MTT assay CHEMBL3351354
NAs.000250 2 all-match HuT78 NAs.000250 IC50 = 17300.0 nM Growth inhibition of human HUT78 cells after 48 hrs by MTT assay CHEMBL3351354
NAs.000250 2 all-match MCF7 NAs.000250 IC50 = 22400.0 nM Growth inhibition of human MCF7 cells after 48 hrs by MTT assay CHEMBL3351354
NAs.000250 2 all-match HeLa NAs.000250 IC50 = 23300.0 nM Growth inhibition of human HeLa cells after 48 hrs by MTT assay CHEMBL3351354
NAs.000250 2 all-match NON-PROTEIN TARGET NAs.000250 IC50 = 24300.0 nM Growth inhibition of human Caco2 cells after 48 hrs by MTT assay CHEMBL3351354
NAs.000250 2 all-match NON-PROTEIN TARGET NAs.000250 IC50 = 15000.0 nM Cytotoxicity against human HL60 cells after 24 to 48 hrs by trypan blue dye exclusion method CHEMBL3351354
NAs.000250 2 all-match HL-60 NAs.000250 Other = 75000.0 nM Induction of apoptosis in human HL60 cells after 24 to 48 hrs by acridine orange and ethidium bromide staining based fluorescence microscopy CHEMBL3351354
NAs.000250 2 all-match Serum NAs.000250 Other = 43.5 hr Half life in RPMI-1640 medium containing 10% fetal calf serum assessed as compound disappearance by HPLC-DAD-ESI-MS method CHEMBL3351354
NAs.000250 2 all-match HL-60 NAs.000250 Other = 31.0 % Induction of cell cycle arrest in human HL60 cells assessed as accumulation at G1 phase at 20 uM after 24 hrs by propidium iodide staining based flow cytometry (Rvb = 32%) CHEMBL3351354
NAs.000250 2 all-match HL-60 NAs.000250 Other = 60.0 % Induction of cell cycle arrest in human HL60 cells assessed as accumulation at S phase at 20 uM after 24 hrs by propidium iodide staining based flow cytometry (Rvb = 54%) CHEMBL3351354
NAs.000250 2 all-match HL-60 NAs.000250 Other = 9.0 % Induction of cell cycle arrest in human HL60 cells assessed as accumulation at G2M phase at 20 uM after 24 hrs by propidium iodide staining based flow cytometry (Rvb = 12%) CHEMBL3351354
NAs.000250 2 all-match HL-60 NAs.000250 Other = 28.0 % Induction of cell cycle arrest in human HL60 cells assessed as accumulation at G1 phase at 20 uM in presence of 2 mM VPA after 24 hrs by propidium iodide staining based flow cytometry (Rvb = 32%) CHEMBL3351354
NAs.000250 2 all-match HL-60 NAs.000250 Other = 61.0 % Induction of cell cycle arrest in human HL60 cells assessed as accumulation at S phase at 20 uM in presence of 2 mM VPA after 24 hrs by propidium iodide staining based flow cytometry (Rvb = 54%) CHEMBL3351354
NAs.000250 2 all-match HL-60 NAs.000250 Other = 11.0 % Induction of cell cycle arrest in human HL60 cells assessed as accumulation at G2M phase at 20 uM in presence of 2 mM VPA after 24 hrs by propidium iodide staining based flow cytometry (Rvb = 12%) CHEMBL3351354
NAs.000250 2 all-match HeLa NAs.000250 GI50 = 23300.0 nM Antiproliferative activity against human HeLa cells after 72 hrs by MTS assay CHEMBL1772936
NAs.000250 2 all-match K562 NAs.000250 GI50 = 9400.0 nM Antiproliferative activity against human K562 cells after 72 hrs by MTS assay CHEMBL1772936
NAs.000250 2 all-match HT-29 NAs.000250 IC50 = 26100.0 nM Growth inhibition of human HT-29 cells after 48 hrs by MTT assay CHEMBL3351354
NAs.000250 2 all-match HT-29 NAs.000250 GI50 = 26100.0 nM Antitumor activity against human HT29 cells after 48 hrs by MTS assay CHEMBL1155110
NAs.000250 2 all-match Hepatitis C virus NS5B RNA-dependent RNA polymerase NAs.000250 IC50 > 50000.0 nM Inhibition HCV NS5B-mediated RNA synthesis CHEMBL1149159
NAs.000250 2 all-match Hepatitis C virus NS5B RNA-dependent RNA polymerase NAs.000250 EC50 > 50000.0 nM Inhibition HCV RNA replication CHEMBL1149159
NAs.000250 2 all-match Adenosine A1 receptor NAs.000250 Ki = 49500.0 nM Inhibitory activity at Adenosine A1 receptor by inhibition of [3H]CHA binding to bovine brain cortical membranes. CHEMBL1131221
NAs.000250 2 all-match Adenosine A2a receptor NAs.000250 Other = 12.0 % Inhibitory activity against Adenosine A2A receptor by inhibition of [3H]-CGS- 21680 binding to bovine striatal membranes CHEMBL1131221
NAs.000250 2 all-match Adenosine A3 receptor NAs.000250 Other = 8.0 % Inhibitory activity against Adenosine A3 receptor by inhibition of [3H](R)-PIA binding to rat testis membranes CHEMBL1131221
NAs.000250 2 all-match Unchecked NAs.000250 Other > 202.0 None Inhibitory selectivity at Adenosine 2A receptor compared to Adenosine 1 receptor. CHEMBL1131221
NAs.000250 2 all-match Unchecked NAs.000250 Other > 202.0 None Inhibitory selectivity at Adenosine A3 receptor compared to Adenosine 1 receptor. CHEMBL1131221
NAs.000250 2 all-match Adenosine A1 receptor NAs.000250 Ki = 51000.0 nM Inhibition of [3H]CHA (N6-cyclohexyl adenosine) to rat brain membrane Adenosine A1 receptor CHEMBL1135881
NAs.000250 2 all-match Adenosine A2a receptor NAs.000250 Other = 12.0 % Ability to displace [3H]-CGS- 21680 from Adenosine A2A receptor of rat brain striatum at 10e-5 M CHEMBL1135881
NAs.000250 2 all-match Adenosine receptors; A1 & A2a NAs.000250 Other > 202.0 None Selectivity for Adenosine A2A over Adenosine A1 receptor CHEMBL1135881
NAs.000250 2 all-match Adenosine receptors; A1 & A3 NAs.000250 Other > 202.0 None Selectivity for Adenosine A3 over Adenosine A1 receptor CHEMBL1135881
NAs.000250 2 all-match MCF7 NAs.000250 GI50 = 22400.0 nM Antitumor activity against human MCF7 cells after 48 hrs by MTS assay CHEMBL1155110
NAs.000250 2 all-match Adenosine A1 receptor NAs.000250 Ki = 51000.0 nM Binding affinity to adenosine A1 receptor in rat brain membranes by measuring displacement of specific [3H]PIA as radioligand. CHEMBL1128285
NAs.000250 2 all-match Adenosine A2a receptor NAs.000250 Other = 13.0 % Binding affinity determined on Adenosine A2A receptor in rat striatal membranes by measuring displacement of specific [3H]-CGS- 21680 as radioligand. CHEMBL1128285
NAs.000250 2 all-match Adenosine A3 receptor NAs.000250 Other = 9.0 % Binding affinity determined by displacement of specific binding of [125I]N-(4-amino-3-iodophenethyl)-adenosine in membranes of CHO cells stably transfected with the rat Adenosine A3 receptor CHEMBL1128285
NAs.000250 2 all-match K562 NAs.000250 IC50 = 18200.0 nM In vitro inhibitory activity against human myelogenous leukemia K562 cell line CHEMBL1140342
NAs.000250 2 all-match K562 NAs.000250 IC50 = 38300.0 nM In vitro inhibitory activity against human leukemia K562IU cell line CHEMBL1140342
NAs.000250 2 all-match HT-29 NAs.000250 IC50 = 23200.0 nM In vitro inhibitory activity against human colon carcinoma HT-29 cell line CHEMBL1140342
NAs.000250 2 all-match MCF7 NAs.000250 IC50 = 17500.0 nM In vitro inhibitory activity against human breast carcinoma MCF-7 cell line CHEMBL1140342
NAs.000250 2 all-match Adenosine A1 receptor NAs.000250 Other = 13.0 % Percent displacement of [3H]DPCPX binding to adenosine A1 receptors of bovine cortical membranes at 0.00005 M CHEMBL1144357
NAs.000250 2 all-match Adenosine A2a receptor NAs.000250 Other = 4.0 % Percent displacement of [3H]CGS-21680 binding to adenosine A2A receptors of bovine striatal membranes at 0.00005 M CHEMBL1144357