Showing 1 to 50 of 135 entries Per page:
Compound ID
Cluster
Compound Type
Target/Cell Structure Activity Assay Description Source
Type
Relation
Value
Unit
NAs.000012 2 all-match Adenosine A1 receptor NAs.000012 Ki = 30.0 nM Displacement of [3H]DPCPX binding to adenosine A1 receptors of bovine cortical membranes CHEMBL1144357
NAs.000012 2 all-match Adenosine A2a receptor NAs.000012 Other = 28.0 % Percent displacement of [3H]CGS-21680 binding to adenosine A2A receptors of bovine striatal membranes at 0.00005 M CHEMBL1144357
NAs.000012 2 all-match Adenosine A3 receptor NAs.000012 Ki = 2560.0 nM Displacement of [125I]AB-MECA from adenosine A3 receptors in bovine cortical membranes CHEMBL1144357
NAs.000012 2 all-match Adenosine receptors; A1 & A2a NAs.000012 Other > 333.0 None Relative affinities against adenosine A2A and A1 receptors (ratio of KiA2A/KiA1) CHEMBL1144357
NAs.000012 2 all-match Adenosine receptors; A1 & A3 NAs.000012 Other = 85.3 None Relative affinities for adenosine A3 and A1 receptors (ratio of KiA3/KiA1) CHEMBL1144357
NAs.000012 2 all-match Adenosine receptors; A2a & A3 NAs.000012 Other > 3.9 None Relative affinities for adenosine A2A and A3 receptors (ratio of KiA2A/KiA3) CHEMBL1144357
NAs.000331 2 all-match SARS-CoV-2 NAs.000331 Other = 0.05 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging CHEMBL4495565
NAs.000331 2 all-match SARS-CoV-2 NAs.000331 Other = 0.05 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging CHEMBL4495565
NAs.000331 2 all-match Replicase polyprotein 1ab NAs.000331 Other = 17.51 % SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate CHEMBL4495564
NAs.000331 2 all-match SARS-CoV-2 NAs.000331 Other = 12.05 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging CHEMBL4303101
NAs.000331 2 all-match Gerbillinae NAs.000331 Other = 38.0 None Reduction in hippocampal cell death by compound administered 30 min after a period of severe forebrain ischemia in the Mongolian gerbil at 0.3 mg/kg dosed 30 min and 120 min post ischemia CHEMBL1132368
NAs.000331 2 all-match Rattus norvegicus NAs.000331 Other = 77.0 % Percent reduction in blood pressure in an anesthetized rat 5 min after intravenous administration of 0.1 mg/kg of compound CHEMBL1132368
NAs.000331 2 all-match Mus musculus NAs.000331 Other = 0.1 mg.kg-1 In vivo inhibition of spontaneous locomotor activity of mouse by the compound 30 min after intraperitoneal administration. CHEMBL1132368
NAs.000331 2 all-match Cavia porcellus NAs.000331 EC50 = 18000.0 nM Negative inotropy effect in isolated guinea pig atria. CHEMBL1132368
NAs.000331 2 all-match Unchecked NAs.000331 IC50 = 40.0 nM In vitro inhibition of isoprenaline-stimulated cAMP accumulation in DDT1-MF2 cells (measured by adenosine A1 functional assay) CHEMBL1132368
NAs.000331 2 all-match Adenosine A2a receptor NAs.000331 Ki = 5700.0 nM Displacement of [3H]-CGS- 21680 from adenosine A2A receptor of rat striatal tissue CHEMBL1132368
NAs.000331 2 all-match Adenosine A1 receptor NAs.000331 Ki = 76.0 nM Displacement of [3H]R-PIA from adenosine A1 receptor of Wistar rat forebrain CHEMBL1132368
NAs.000331 2 all-match Mus musculus NAs.000331 Other = 0.23 mg.kg-1 In vivo inhibition of DMCM-induced seizures in mouse by the compound 30 min after intraperitoneal administration CHEMBL1132368
NAs.000399 2 all-match Adenosine A2a receptor NAs.000399 Ki = 750.0 nM Ability to displace the specific binding of [3H]-CGS- to adenosine A2A receptor form bovine brain striatal membranes CHEMBL1132946
NAs.000399 2 all-match K562 NAs.000399 GI50 > 250000.0 nM Antitumor activity against human K562 cells after 48 hrs by MTS assay CHEMBL1155110
NAs.000399 2 all-match Adenosine A2b receptor NAs.000399 Other = 1.816 None Agonist activity human adenosine A2B receptor expressed in CHO cells assessed as stimulation of adenylate cyclase relative to NECA CHEMBL1145544
NAs.000399 2 all-match Adenosine A2b receptor NAs.000399 Other = -4.279 None Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of adenylate cyclase CHEMBL1145544
NAs.000399 2 all-match Unchecked NAs.000399 Other = 0.03 None Selectivity, ratio of affinity towards adenosine A3 to A2A CHEMBL1132946
NAs.000399 2 all-match Unchecked NAs.000399 Other = 19.0 None Selectivity, ratio of affinity towards adenosine A3 to A1 CHEMBL1132946
NAs.000399 2 all-match Unchecked NAs.000399 Other = 577.0 None Selectivity, ratio of affinity towards adenosine A2A to A1 CHEMBL1132946
NAs.000399 2 all-match Adenosine A3 receptor NAs.000399 Ki = 25.0 nM Ability to displace the specific binding of [3H](R)-PIA to adenosine A3 receptor from rat testis membranes CHEMBL1132946
NAs.000399 2 all-match Adenosine A1 receptor NAs.000399 Ki = 1.3 nM Ability to displace the specific binding of [3H]CHA to adenosine A1 receptor from bovine brain cortical membranes CHEMBL1132946
NAs.000399 2 all-match Adenosine A1 receptor NAs.000399 Ki = 1.31 nM Displacement of [3H]CHA from adenosine A1 receptor of rat whole brain CHEMBL1122939
NAs.000399 2 all-match Adenosine A1 receptor NAs.000399 IC50 = 1.7 nM Binding affinity towards the adenosine A1 receptor in cerebral cortices of Sprague-Dawley male rats using [3H]CHA as radioligand. CHEMBL1124880
NAs.000399 2 all-match Adenosine A2 receptor NAs.000399 Ki = 30000.0 nM Binding affinity for adenosine A2 receptor in corpora striata of rats using [3H]NECA CHEMBL1124880
NAs.000399 2 all-match Adenosine A1 receptor NAs.000399 Ki = 3.0 nM Binding affinity for Adenosine A1 receptor in cerebral cortices of Sprague-Dawley male rats using [3H]CHA CHEMBL1124880
NAs.000399 2 all-match Adenosine A2 receptor NAs.000399 IC50 = 640.0 nM Evaluated for the binding affinity towards the Adenosine A2 receptor in corpora striata of rats using [3H]NECA as radioligand. CHEMBL1124880
NAs.000399 2 all-match Adenosine A1 receptor NAs.000399 IC50 = 2.0 nM Binding affinity towards the adenosine A1 receptor in cerebral cortices of Sprague-Dawley male rats using [3H]CHA as radioligand. CHEMBL1124880
NAs.000399 2 all-match Adenosine receptors; A1 & A2 NAs.000399 Other = 277.0 None Relative binding to A2 and A1 receptors (ratio of Ki) CHEMBL1122939
NAs.000399 2 all-match No relevant target NAs.000399 Other = 1.6 None Lipophilicity value was evaluated CHEMBL1122939
NAs.000399 2 all-match Caco-2 NAs.000399 GI50 > 250000.0 nM Antitumor activity against human CaCo2 cells after 48 hrs by MTS assay CHEMBL1155110
NAs.000399 2 all-match Adenosine receptors; A1 & A2 NAs.000399 Other = 0.006 None Ratio of IC50 values for A1 receptor binding to that of A2 receptor CHEMBL1125861
NAs.000399 2 all-match Adenosine A1 receptor NAs.000399 Ki = 1.31 nM Binding affinity for Adenosine A1 receptor in corpora striata of rats using [3H]NECA CHEMBL1124880
NAs.000399 2 all-match HT-29 NAs.000399 GI50 > 250000.0 nM Antitumor activity against human HT29 cells after 48 hrs by MTS assay CHEMBL1155110
NAs.000399 2 all-match 6-phospho-1-fructokinase NAs.000399 Other None 756.9 nM PUBCHEM_BIOASSAY: qHTS Validation Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] CHEMBL1201862
NAs.000399 2 all-match Unchecked NAs.000399 Ki > 100000.0 nM Displacement of [3H]adenine from adenine 1 receptor in rat brain cortical membrane by liquid scintillation counting CHEMBL1156038
NAs.000399 2 all-match Unchecked NAs.000399 CC50 None None None Cytotoxicity against PEK cells after 7 days CHEMBL3994636
NAs.000399 2 all-match Unchecked NAs.000399 CC50 None None None Cytotoxicity against PEK cells after 24 hrs CHEMBL3994636
NAs.000399 2 all-match Tick-borne encephalitis virus NAs.000399 EC50 > 50000.0 nM Antiviral activity against TEBV Absettarov infected in PEK cells assessed as inhibition of viral reproduction preincubated with virus for 1 hr followed by addition to PEK cells measured after 1 hr by gentian violet staining based plaque reduction assay CHEMBL3994636
NAs.000399 2 all-match Tick-borne encephalitis virus NAs.000399 Other None None % Antiviral activity against TEBV Absettarov infected in PEK cells assessed as inhibition of viral reproduction at 50 uM preincubated with virus for 1 hr followed by addition to PEK cells measured after 1 hr by gentian violet staining based plaque reduction assay relative to control CHEMBL3994636
NAs.000399 2 all-match Adenosine A1 receptor NAs.000399 Other = 1.3 nM Displacement of [3H] CGS 21680 from rat hippocampus adenosine A1 receptor CHEMBL3769306
NAs.000399 2 all-match Cerebroside-sulfatase NAs.000399 Other None 37.9 nM PubChem BioAssay. qHTS screen for enhancers of Arylsulfatase A (ASA1): LOPAC Validation Assay. (Class of assay: confirmatory) CHEMBL1201862
NAs.000399 2 all-match Dopamine D1 receptor NAs.000399 Other None 58.0 nM PubChem BioAssay. HTS Assay for Allosteric Antagonists of the Human D2 Dopamine Receptor: Hit Validation in HTRF. (Class of assay: confirmatory) CHEMBL1201862
NAs.000399 2 all-match HEK293 NAs.000399 Other None 1778.3 nM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] CHEMBL1201862
NAs.000399 2 all-match Unchecked NAs.000399 Other None 29081.0 nM PUBCHEM_BIOASSAY: qHTS for inhibitors of binding or entry into cells for Marburg Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249, AID540278] CHEMBL1201862