| L1210 |
Concentration |
= |
0.001 |
M |
The concentration required to inhibit the growth of L-1210 leukemic cells was evaluated; 1E-3 to 1E-4 |
CHEMBL1123079 |
| L1210 |
Concentration |
= |
0.0001 |
M |
The concentration requiredi (cytidine+2'deoxycytidine) to inhibit the growth of L-1210 leukemic cells was evaluated |
CHEMBL1123079 |
| ST-KM-1 |
IC50 |
> |
100.0 |
ug.mL-1 |
Inhibitory effect tested in vitro for the growth of Stomach adenocarcinoma ST-KM cell line |
CHEMBL1125937 |
| NUGC-4 |
IC50 |
> |
100.0 |
ug.mL-1 |
Inhibitory effect tested in vitro for the growth of Stomach adenocarcinoma NUGC-4 cell line |
CHEMBL1125937 |
| MKN-28 |
IC50 |
= |
4.5 |
ug.mL-1 |
Inhibitory effect tested in vitro for the growth of Stomach adenocarcinoma MKN- 28 cell line |
CHEMBL1125937 |
| OST |
IC50 |
> |
100.0 |
ug.mL-1 |
Inhibitory effect tested in vitro for the growth of Osteosarcoma OST cell line |
CHEMBL1125937 |
| KHOS-321H |
IC50 |
= |
0.27 |
ug.mL-1 |
Inhibitory effect tested in vitro for the growth of Osteosarcoma KHOS-321H cell line |
CHEMBL1125937 |
| SK-ES1 |
IC50 |
= |
0.09 |
ug.mL-1 |
Inhibitory effect tested in vitro for the growth of Osteosarcoma SK-ES-1 cell line |
CHEMBL1125937 |
| HOS-TE85 |
IC50 |
= |
2.6 |
ug.mL-1 |
Inhibitory effect tested in vitro for the growth of Osteosarcoma MNNG-HOS cell line |
CHEMBL1125937 |
| PC-3 |
IC50 |
> |
100.0 |
ug.mL-1 |
Inhibitory effect tested in vitro for the growth of Lung adenocarcinoma PC-3 cell line |
CHEMBL1125937 |
| PC-8 |
IC50 |
= |
0.28 |
ug.mL-1 |
Inhibitory effect tested in vitro for the growth of Lung adenocarcinoma PC-8 cell line |
CHEMBL1125937 |
| PC-9 |
IC50 |
= |
1.6 |
ug.mL-1 |
Inhibitory effect tested in vitro for the growth of Lung adenocarcinoma PC-9 cell line |
CHEMBL1125937 |
| PC-13 |
IC50 |
> |
100.0 |
ug.mL-1 |
Inhibitory effect tested in vitro for the growth of Lung adenocarcinoma PC-13 cell line |
CHEMBL1125937 |
| QG-56 |
IC50 |
> |
100.0 |
ug.mL-1 |
Inhibitory effect tested in vitro for the growth of Lung squamous-cell carcinoma QG-56 cell line |
CHEMBL1125937 |
| SW480 |
IC50 |
> |
100.0 |
ug.mL-1 |
Inhibitory effect tested in vitro for the growth of colon adenocarcinoma SW-480 cell line |
CHEMBL1125937 |
| Thymidine kinase 2 |
Inhibition |
= |
13.0 |
% |
Ability to inhibit rat mitochondrial thymidine kinase |
CHEMBL1122068 |
| Thymidine kinase |
Inhibition |
= |
1.0 |
% |
Ability to inhibit rat cytoplasmic Thymidine kinase |
CHEMBL1122068 |
| Sarcoma-180 |
Phosphorylating activity |
= |
812.0 |
pM min-1 assay-1 |
Phosphorylation by uridine/cytidine kinase(UCK) from mouse sarcoma -180 ascites cells was measured. |
CHEMBL1131043 |
| No relevant target |
LogP |
= |
-2.29 |
|
Partition coefficient (logP) |
CHEMBL1126075 |
| Cytidine deaminase |
Relative initial rate |
= |
100.0 |
|
Inhibition of cytidine deaminase partially purified from mouse kidney. |
CHEMBL1122440 |
| ADMET |
Km |
= |
50000.0 |
nM |
Michaelis-Menten constant was determined against cytidine deaminase |
CHEMBL1121843 |
| Deoxycytidine kinase |
Km |
= |
6600.0 |
nM |
Activity of human dCK expressed in HepG2 cells assessed as phosphorylation by coupled enzyme assay |
CHEMBL1142170 |
| Uridine-cytidine kinase 1 |
Km |
= |
131000.0 |
nM |
Activity of human UCK1 expressed in Huh7 cells assessed as phosphorylation by coupled enzyme assay |
CHEMBL1142170 |
| Deoxycytidine kinase |
Kcat/Km |
= |
0.0014 |
/uM/s |
Ratio of Kcat to Km for human dCK expressed in HepG2 cells |
CHEMBL1142170 |
| Uridine-cytidine kinase 1 |
Kcat/Km |
= |
0.0038 |
/uM/s |
Ratio of Kcat to Km for UCK1 activity expressed in Huh7 cells |
CHEMBL1142170 |
| Deoxycytidine kinase |
Kcat |
= |
0.009000000000000001 |
/s |
Activity of human dCK expressed in HepG2 cells assessed as phosphorylation by coupled enzyme assay |
CHEMBL1142170 |
| Uridine-cytidine kinase 1 |
Kcat |
= |
0.5 |
/s |
Activity of human UCK1 expressed in Huh7 cells assessed as phosphorylation by coupled enzyme assay |
CHEMBL1142170 |
| Ileum |
Activity |
= |
0.0 |
% |
Contractile activity in guinea pig ileum at 1200 ug/ml relative to histamine |
CHEMBL1151127 |
| Ileum |
Inhibition |
= |
0.0 |
% |
Inhibition of electrically-stimulated contraction in guinea pig ileum at 1200 ug/ml |
CHEMBL1151127 |
| Radical scavenging activity |
IC50 |
> |
30000.0 |
nM |
Antioxidant activity assessed as DPPH radical scavenging activity after 30 mins |
CHEMBL1158739 |
| NON-PROTEIN TARGET |
IC50 |
> |
30000.0 |
nM |
Antioxidant activity assessed as authentic peroxynitrite free radical scavenging activity after 30 mins |
CHEMBL1158739 |
| NON-PROTEIN TARGET |
IC50 |
> |
30000.0 |
nM |
Antioxidant activity assessed as 3-morpholinosydnonimine-derived peroxynitrite free radical scavenging activity after 30 mins |
CHEMBL1158739 |
| Cytidine deaminase |
Kcat |
= |
5.4 |
/s |
Activity of cloned cytidine deaminase in human HuH7 cells by spectrophotometric analysis |
CHEMBL1152990 |
| Cytidine deaminase |
Km |
= |
40000.0 |
nM |
Activity of cloned cytidine deaminase in human HuH7 cells by spectrophotometric analysis |
CHEMBL1152990 |
| Cytidine deaminase |
Kcat/Km |
= |
0.14 |
/uM/s |
Ratio of Kcat to Km for cloned cytidine deaminase in human HuH7 cells by spectrophotometric analysis |
CHEMBL1152990 |
| Chromobox protein homolog 1 |
Potency |
|
56234.1 |
nM |
PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] |
CHEMBL1201862 |
| Leishmania infantum |
IC50 |
> |
32000.0 |
nM |
MMV: Inhibition of Leishmania infantum (MHOM/MA/BE/67) in vitro. |
CHEMBL2028040 |
| MRC5 |
IC50 |
> |
32000.0 |
nM |
MMV: Cytotoxicity against human fibroblasts (MRC-5) cells. |
CHEMBL2028040 |
| Plasmodium falciparum |
EC50 |
= |
385.0 |
nM |
MMV: Inhibition of Plasmodium falciparum 3D7 (EC50). |
CHEMBL2028040 |
| Trypanosoma cruzi |
IC50 |
> |
32000.0 |
nM |
MMV: Inhibition of Trypanosoma cruzi (Tulahuen C4 LacZ) (Chagas in vitro). |
CHEMBL2028040 |
| Trypanosoma brucei brucei |
IC50 |
> |
32000.0 |
nM |
MMV: Inhibition of Trypanosoma brucei brucei (Squib 427) (HAT in vitro). |
CHEMBL2028040 |
| Trypanosoma brucei rhodesiense |
IC50 |
> |
32000.0 |
nM |
MMV: Inhibition of Trypanosoma brucei rhodesiense (STIB 900) (HAT in vitro). |
CHEMBL2028040 |
| Mycobacterium tuberculosis |
Inhibition |
= |
14.6 |
% |
MMV: Screen against Mtb, single point, non replicating, at 25uM |
CHEMBL2094260 |
| Mycobacterium tuberculosis |
Inhibition |
= |
-3.06 |
% |
MMV: Screen against Mtb, single point, replicating, at 25uM |
CHEMBL2094260 |
| Streptavidin |
Activity |
|
|
|
Binding affinity to Streptomyces avidinii streptavidin at 4 mM using dye labeled Streptavidin binding aptamer by fluorescence spectral analysis method |
CHEMBL2202973 |
| Schistosoma mansoni |
Toxicity |
= |
0.0 |
|
MMV: Toxicity @ 2.5 uM to newly transformed Schistosoma mansoni somules after 24 h on a scale of 0 (none) - 4 (most) as judged visually: includes short descriptors of effects (PMID:19597541). Caffrey group UCSF. |
CHEMBL2363022 |
| Schistosoma mansoni |
Toxicity |
= |
0.0 |
|
MMV: Toxicity @ 2.5 uM to newly transformed Schistosoma mansoni somules after 48 h on a scale of 0 (none) - 4 (most) as judged visually: includes short descriptors of effects (PMID:19597541). Caffrey group UCSF. |
CHEMBL2363022 |
| Schistosoma mansoni |
Toxicity |
= |
0.0 |
|
MMV: Toxicity @ 2.5 uM to newly transformed Schistosoma mansoni somules after 72 h on a scale of 0 (none) - 4 (most) as judged visually: includes short descriptors of effects (PMID:19597541). Caffrey group UCSF. |
CHEMBL2363022 |
| Plasmodium falciparum |
Ratio |
= |
0.6667 |
|
MMV: Compounds (1uM) were screened in a 72hr growth assay monitored by flow cytometry both in the presence and absence of supplemental isopentenyl pyrophosphate (IPP) 200uM. Compounds which fail to show anti-malarial activity when chemically rescued by IPP are therefore specific to the apicoplast. The values are expressed as the ratio of the corresponding activity with and without IPP, respectively. |
CHEMBL2448809 |
| Solute carrier organic anion transporter family member 1B1 |
Inhibition |
= |
99.44 |
% |
Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM |
CHEMBL3039007 |
| Solute carrier organic anion transporter family member 1B3 |
Inhibition |
= |
114.03 |
% |
Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM |
CHEMBL3039007 |
| Cryptosporidium parvum |
Inhibition |
= |
73.84 |
% |
MMV: Cryptosporidium parvum oocysts (Iowa Strain) were prepared for use by treatment with 10 mM HCl (37 degrees C, 10 min) followed by 2 mM sodium taurocholate in phosphate-buffered saline (PBS) with Ca2+ and Mg2+ (16 degrees C, 10 min) in order to stimulate excystation. The high-throughput screen was carried out by inoculating >90% confluent human ileocecal adenocarcinoma (HCT-8) cells (ATCC) with ~5.5 x 10^3 primed oocysts per well. Experimental compounds or DMSO (vehicle) were added three hours after infection, and cells were incubated for 48 hours. |
CHEMBL3137356 |
| Onchocerca lienalis |
Motility |
= |
100.0 |
% |
MMV: Percent motility assay at a compound concentration of 1.25e-5 M. Activity score legend: 3: Active, 2: Moderately active; 1: Inactive, 0: Toxic |
CHEMBL3137381 |
| Onchocerca lienalis |
Motility |
= |
100.0 |
% |
MMV: Percent motility assay at a compound concentration of 3.1e-6 M. Activity score legend: 3: Active, 2: Moderately active; 1: Inactive, 0: Toxic |
CHEMBL3137381 |
| Onchocerca lienalis |
Motility |
= |
100.0 |
% |
MMV: Percent motility assay at a compound concentration of 1.9e-7 M. Activity score legend: 3: Active, 2: Moderately active; 1: Inactive, 0: Toxic |
CHEMBL3137381 |
| Onchocerca lienalis |
Motility |
= |
100.0 |
% |
MMV: Percent motility assay at a compound concentration of 7.8e-7 M. Activity score legend: 3: Active, 2: Moderately active; 1: Inactive, 0: Toxic |
CHEMBL3137381 |
| DNA-(apurinic or apyrimidinic site) lyase |
Potency |
|
354.8 |
nM |
PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) |
CHEMBL1201862 |
| Toxoplasma gondii |
IC50 |
> |
30000.0 |
nM |
MMV: A total of 100ul of inoculum was added to each well (parasite/cell ratio, ~10:1; final volume, 200 ul). Six hours after inoculation, nonadherent parasites were removed, and 100 ul of complete DMEM (1% penicillin-streptomycin, 3% FBS) supplemented with inhibitors at different concentrations (2-fold serial dilutions starting from 30 uM) was added to all except the negative-control wells. Positive controls, consisting of pyrimethamine (PYR) and sulfadiazine (SDZ) (20-mg/ml stocks in DMSO), were tested at a 2mg/ml final concentration. Each test was performed in triplicate. |
CHEMBL3301448 |
| Entamoeba histolytica |
IC50 |
> |
30000.0 |
nM |
MMV: Primary screening was performed with each compound at a 30 uM final concentration and in triplicate in sealed 96-well polystyrene microtiter plates. Parasite inocula (100 ul) comprising 20000 parasites/ml were added to each well and grown at 37 degrees C in a humidified atmosphere of 5% CO2 for 72 h. Positive controls consisted of metronidazole at 1 mg/ml. The growth of E. histolytica trophozoites in each well was determined microscopically by measuring the diameters of the confluent cells in drug-containing wells relative to those in the nega- tive-control wells. |
CHEMBL3301448 |
| Plasmodium berghei |
Inhibition |
= |
-17.3 |
% |
MMV: P. berghei-infected blood was withdrawn from mice by cardiac pucture before being immediately added to ookinete culture medium containing test compounds. 26 hr later, GFP-positive ookinetes were identified and counted by automated microscopy. All compounds were tested in 4 independent experiments and data presented here is the mean. |
CHEMBL3301451 |
| Plasmodium falciparum |
Inhibition |
= |
-18.78 |
% |
MMV: P. falciparum NF54 functionally mature Stage V gametocytes were incubated for 24 hr in the presence of the test compounds. Gamete formation was then triggered by addition of 2uM xantheurenic acid and temperature decrease to ~20C. Male gamete exflagellation was recorded and analysed by automated microscopy after 20 min. All compounds were tested in 4 independent experiments and data presented here is the mean. |
CHEMBL3301451 |
| Plasmodium falciparum |
Inhibition |
= |
-25.67 |
% |
MMV: P. falciparum NF54 functionally mature Stage V gametocytes were incubated for 24 hr in the presence of the test compounds. Gamete formation was then triggered by addition of 2uM xantheurenic acid and temperature decrease to ~20C. Female gamete formation was recorded 24 hr later by automated microscopy detection of surface labelling of female gametes with a Cy3-conjugated antibody reactive to Pfs25. All compounds were tested in 4 independent experiments and data presented here is the mean. |
CHEMBL3301451 |
| HERG |
Inhibition |
= |
0.0 |
% |
MMV: Malaria Box compounds were tested for inhibition of the human ether a go-go related gene (hERG), Kv11.1 channel, using IonWorks 384-well patch clamp electrophysiology at 1.1uM (3 independent assay plates up to 12 cells per concentration). |
CHEMBL3301458 |
| HERG |
Inhibition |
= |
8.0 |
% |
MMV: Malaria Box compounds were tested for inhibition of the human ether a go-go related gene (hERG), Kv11.1 channel, using IonWorks 384-well patch clamp electrophysiology at 11.1uM (3 independent assay plates up to 12 cells per concentration). |
CHEMBL3301458 |
| Unchecked |
IC50 |
= |
7310.0 |
nM |
MMV: Anti-babesial activity assay. Parasite pRBCs at 1% parasitemia were cultivated in 100 ul with 96-well plates at 2.5% and 5% hematocrits. The parasites were cultivated in triplicate for 4 days without replacement of the medium for each concentration of the compound. On the fourth day of culture, lysis buffer containing 2x SGI was added and 50% inhibitory concentration (IC50) values were calculated. |
CHEMBL3301464 |
| Unchecked |
IC50 |
= |
4270.0 |
nM |
MMV: Anti-babesial activity assay. Parasite pRBCs at 1% parasitemia were cultivated in 100 ul with 96-well plates at 2.5% and 5% hematocrits. The parasites were cultivated in triplicate for 4 days without replacement of the medium for each concentration of the compound. On the fourth day of culture, lysis buffer containing 2x SGI was added and 50% inhibitory concentration (IC50) values were calculated. |
CHEMBL3301464 |
| Unchecked |
IC50 |
= |
19130.0 |
nM |
MMV: Anti-babesial activity assay. Parasite pRBCs at 1% parasitemia were cultivated in 100 ul with 96-well plates at 2.5% and 5% hematocrits. The parasites were cultivated in triplicate for 4 days without replacement of the medium for each concentration of the compound. On the fourth day of culture, lysis buffer containing 2x SGI was added and 50% inhibitory concentration (IC50) values were calculated. |
CHEMBL3301464 |
| Unchecked |
IC50 |
= |
14090.0 |
nM |
MMV: Anti-babesial activity assay. Parasite pRBCs at 1% parasitemia were cultivated in 100 ul with 96-well plates at 2.5% and 5% hematocrits. The parasites were cultivated in triplicate for 4 days without replacement of the medium for each concentration of the compound. On the fourth day of culture, lysis buffer containing 2x SGI was added and 50% inhibitory concentration (IC50) values were calculated. |
CHEMBL3301464 |
| NON-PROTEIN TARGET |
% Cell Death |
= |
24.0 |
|
MMV: MTT Cytotoxicity Assay Day 7 pi of Assay #7 (compound washed out Day 1 pi), U87-CD4-CXCR4 cells, % cell death @ 5mM compound |
CHEMBL3301472 |
| Human immunodeficiency virus 1 |
Inhibition |
= |
-6900.0 |
% |
MMV: HIV CCR5-tropic env JRFL pseudovirus assay produces luciferase signal in lieu of replicating viral particles Day 3 pi, U87-CD4-CCR5, % inhibition at 5 mM compound |
CHEMBL3301472 |
| Human immunodeficiency virus 1 |
Inhibition |
= |
-700.0 |
% |
MMV: HIV JRFL CCR5-tropic replication-competent virus, NO washout, P24 ELISA Day 7 pi, U87-CD4-CCR5, % inhibition at 5 mM compound |
CHEMBL3301472 |
| Human immunodeficiency virus 1 |
Inhibition |
= |
1400.0 |
% |
MMV: HIV CXCR4-tropic env NL4-3 pseudovirus assay produces luciferase signal in lieu of replicating viral particles Day 3 pi, U87-CD4-CXCR4, % inhibition at 5 mM compound |
CHEMBL3301472 |
| Human immunodeficiency virus 1 |
Inhibition |
= |
600.0 |
% |
MMV: HIV NL4-3 CXCR4-tropic replication-competent virus, NO washout, P24 ELISA Day 7 pi, U87-CD4-CXCR4, % inhibition at 5 mM compound |
CHEMBL3301472 |
| Human immunodeficiency virus 1 |
Inhibition |
= |
-3700.0 |
% |
MMV: HIV CXCR4-tropic env HxB2 pseudovirus assay produces luciferase signal in lieu of replicating viral particles Day 3 pi, U87-CD4-CXCR4, % inhibition at 5 mM compound |
CHEMBL3301472 |
| NON-PROTEIN TARGET |
% Cell Death |
= |
26.0 |
|
MMV: MTT Cytotoxicity Assay Day 7 pi of Assay #10 (NO washout), U87-CD4-CCR5 cells, % cell death @ 5mM compound |
CHEMBL3301472 |
| NON-PROTEIN TARGET |
% Cell Death |
= |
-30.0 |
|
MMV: MTT Cytotoxicity Assay Day 3 pi, U87-CD4-CCR5 cells, % cell death @ 5mM compound |
CHEMBL3301472 |
| NON-PROTEIN TARGET |
% Cell Death |
= |
0.0 |
|
MMV: MTT Cytotoxicity Assay Day 7 pi of Assay #11 (NO washout), U87-CD4-CXCR4 cells, % cell death @ 5mM compound |
CHEMBL3301472 |
| NON-PROTEIN TARGET |
% Cell Death |
= |
28.0 |
|
MMV: MTT Cytotoxicity Assay Day 3 pi, U87-CD4-CXCR4 cells, % cell death @ 5mM compound |
CHEMBL3301472 |
| Human immunodeficiency virus 1 |
Inhibition |
= |
-1800.0 |
% |
MMV: HIV JRFL CCR5-tropic replication-competent virus, virus & compound washed out Day 1 pi, P24 ELISA Day 7 pi, U87-CD4-CCR5, % inhibition at 5 mM compound |
CHEMBL3301472 |
| Human immunodeficiency virus 1 |
Inhibition |
= |
2700.0 |
% |
MMV: HIV NL4-3 CXCR4-tropic replication-competent virus, virus & compound washed out Day 1 pi, P24 ELISA Day 7 pi, U87-CD4-CXCR4, % inhibition at 5 mM compound |
CHEMBL3301472 |
| NON-PROTEIN TARGET |
% Cell Death |
= |
-9.0 |
|
MMV: MTT Cytotoxicity Assay Day 7 pi of Assay #6 (compound washed out Day 1 pi), U87-CD4-CCR5 cells, % cell death @ 5mM compound |
CHEMBL3301472 |
| NCI/ADR-RES |
Inhibition |
= |
70.08 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Ovarian Cancer cell line NCI/ADR-RES |
CHEMBL3301486 |
| ACHN |
Inhibition |
= |
79.47 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Renal Cancer cell line ACHN |
CHEMBL3301486 |
| COLO 205 |
Inhibition |
= |
109.56 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Colon Cancer cell line COLO 205 |
CHEMBL3301486 |
| MOLT-4 |
Inhibition |
= |
57.13 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Leukemia cell line MOLT-4 |
CHEMBL3301486 |
| UACC-257 |
Inhibition |
= |
90.08 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Melanoma cell line UACC-257 |
CHEMBL3301486 |
| CAKI-1 |
Inhibition |
= |
91.32 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Renal Cancer cell line CAKI-1 |
CHEMBL3301486 |
| TK-10 |
Inhibition |
= |
124.52 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Renal Cancer cell line TK-10 |
CHEMBL3301486 |
| MCF7 |
Inhibition |
= |
63.14 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Breast Cancer cell line MCF7 |
CHEMBL3301486 |
| OVCAR-3 |
Inhibition |
= |
88.71 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Ovarian Cancer cell line OVCAR-3 |
CHEMBL3301486 |
| RXF 393 |
Inhibition |
= |
50.13 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Renal Cancer cell line RXF 393 |
CHEMBL3301486 |
| SN12C |
Inhibition |
= |
54.88 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Renal Cancer cell line SN12C |
CHEMBL3301486 |
| UO-31 |
Inhibition |
= |
100.43 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Renal Cancer cell line UO-31 |
CHEMBL3301486 |
| Unchecked |
Inhibition |
= |
82.83 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Breast Cancer cell line MDA-MB-231/ATCC |
CHEMBL3301486 |
| Unchecked |
Inhibition |
= |
98.98 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Colon Cancer cell line HCC-2998 |
CHEMBL3301486 |
| RPMI-8226 |
Inhibition |
= |
49.81 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Leukemia cell line RPMI-8226 |
CHEMBL3301486 |
| UACC-62 |
Inhibition |
= |
95.91 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Melanoma cell line UACC-62 |
CHEMBL3301486 |
| OVCAR-4 |
Inhibition |
= |
72.27 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Ovarian Cancer cell line OVCAR-4 |
CHEMBL3301486 |
| SR |
Inhibition |
= |
2.991 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Leukemia cell line SR |
CHEMBL3301486 |
| Unchecked |
Inhibition |
= |
46.59 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Non-Small Cell Lung Cancer cell line A549/ATCC |
CHEMBL3301486 |
| MDA-MB-468 |
Inhibition |
= |
96.83 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Breast Cancer cell line MDA-MB-468 |
CHEMBL3301486 |
| HCT-116 |
Inhibition |
= |
64.35 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Colon Cancer cell line HCT-116 |
CHEMBL3301486 |
| OVCAR-5 |
Inhibition |
= |
104.12 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Ovarian Cancer cell line OVCAR-5 |
CHEMBL3301486 |
| Unchecked |
Inhibition |
= |
75.53 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Melanoma cell line LOX IMVI |
CHEMBL3301486 |
| HOP-62 |
Inhibition |
= |
65.03 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Non-Small Cell Lung Cancer cell line HOP-62 |
CHEMBL3301486 |
| Unchecked |
Inhibition |
= |
99.17 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Breast Cancer cell line T-47D |
CHEMBL3301486 |
| HOP-92 |
Inhibition |
= |
73.17 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Non-Small Cell Lung Cancer cell line HOP-92 |
CHEMBL3301486 |
| OVCAR-8 |
Inhibition |
= |
58.47 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Ovarian Cancer cell line OVCAR-8 |
CHEMBL3301486 |
| SF-268 |
Inhibition |
= |
86.2 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human CNS Cancer cell line SF-268 |
CHEMBL3301486 |
| Unchecked |
Inhibition |
= |
105.57 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Colon Cancer cell line HT29 |
CHEMBL3301486 |
| M14 |
Inhibition |
= |
107.42 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Melanoma cell line M14 |
CHEMBL3301486 |
| SK-OV-3 |
Inhibition |
= |
90.21 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Ovarian Cancer cell line SK-OV-3 |
CHEMBL3301486 |
| SF-295 |
Inhibition |
= |
58.55 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human CNS Cancer cell line SF-295 |
CHEMBL3301486 |
| KM12 |
Inhibition |
= |
72.08 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Colon Cancer cell line KM12 |
CHEMBL3301486 |
| Malme-3M |
Inhibition |
= |
108.64 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Melanoma cell line MALME-3M |
CHEMBL3301486 |
| NCI-H23 |
Inhibition |
= |
71.8 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Non-Small Cell Lung Cancer cell line NCI-H23 |
CHEMBL3301486 |
| DU-145 |
Inhibition |
= |
94.37 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Prostate Cancer cell line DU-145 |
CHEMBL3301486 |
| SF-539 |
Inhibition |
= |
73.13 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human CNS Cancer cell line SF-539 |
CHEMBL3301486 |
| SW-620 |
Inhibition |
= |
72.7 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Colon Cancer cell line SW-620 |
CHEMBL3301486 |
| MDA-MB-435 |
Inhibition |
= |
88.77 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Melanoma cell line MDA-MB-435 |
CHEMBL3301486 |
| NCI-H322M |
Inhibition |
= |
113.94 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Non-Small Cell Lung Cancer cell line NCI-H322M |
CHEMBL3301486 |
| PC-3 |
Inhibition |
= |
85.57 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Prostate Cancer cell line PC-3 |
CHEMBL3301486 |
| CCRF-CEM |
Inhibition |
= |
29.17 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Leukemia cell line CCRF-CEM |
CHEMBL3301486 |
| SK-MEL-2 |
Inhibition |
= |
110.42 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Melanoma cell line SK-MEL-2 |
CHEMBL3301486 |
| SNB-19 |
Inhibition |
= |
101.28 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human CNS Cancer cell line SNB-19 |
CHEMBL3301486 |
| NCI-H460 |
Inhibition |
= |
59.76 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Non-Small Cell Lung Cancer cell line NCI-H460 |
CHEMBL3301486 |
| 786-0 |
Inhibition |
= |
95.21 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Renal Cancer cell line 786-0 |
CHEMBL3301486 |
| SNB-75 |
Inhibition |
= |
76.88 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human CNS Cancer cell line SNB-75 |
CHEMBL3301486 |
| HL-60 |
Inhibition |
= |
99.75 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Leukemia cell line HL-60(TB) |
CHEMBL3301486 |
| SK-MEL-28 |
Inhibition |
= |
76.39 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Melanoma cell line SK-MEL-28 |
CHEMBL3301486 |
| NCI-H522 |
Inhibition |
= |
71.21 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Non-Small Cell Lung Cancer cell line NCI-H522 |
CHEMBL3301486 |
| A498 |
Inhibition |
= |
106.14 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Renal Cancer cell line A498 |
CHEMBL3301486 |
| BT-549 |
Inhibition |
= |
111.03 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Breast Cancer cell line BT-549 |
CHEMBL3301486 |
| SK-MEL-5 |
Inhibition |
= |
89.92 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Melanoma cell line SK-MEL-5 |
CHEMBL3301486 |
| Unchecked |
Inhibition |
= |
105.62 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Breast Cancer cell line HS 578T |
CHEMBL3301486 |
| U-251 |
Inhibition |
= |
48.89 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human CNS Cancer cell line U251 |
CHEMBL3301486 |
| Unchecked |
Inhibition |
= |
74.3 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Leukemia cell line K-562 |
CHEMBL3301486 |
| IGROV-1 |
Inhibition |
= |
82.92 |
% |
MMV: NCI60 panel. Malaria Box compounds were tested for inhibition of the human Ovarian Cancer cell line IGROV1 |
CHEMBL3301486 |
| Saccharomyces cerevisiae |
Relative Growth |
= |
0.1163 |
|
MMV: Growth assays were conducted using the prototrophic S. cerevisiae strain JHY222. Each MMV compound (0.1 mM) was tested in minimal media containing dextrose as a carbon source (Yeast Nitrogen Base, Dextrose; YNBD). The growth rate in the presence of each MMV compound was calculated as follows: (i) the first 10 OD readings were averaged and subtracted from all OD readings of the corresponding curve to set the baseline of the growth curve to zero, and (ii) the area under the curve (AUC) was then calculated as the sum of all OD readings. AUC was calculated following 80 OD readings, corresponding to roughly 20 h of growth. A relative growth value was calculated as follows: AUC(DRUG) - AUC(DMSO)/AUC(DMSO); where AUC(DMSO) represents growth measured in a DMSO control well that was on the same microtiter plate of the drug-treated culture. A relative growth value near zero means the compound had little or no effect on growth, whereas a value near -1 means the compound strongly or completely inhibited growth. |
CHEMBL3301546 |
| Saccharomyces cerevisiae |
Relative Growth |
= |
-0.4063 |
|
MMV: Growth assays were conducted using the prototrophic S. cerevisiae strain JHY222. Each MMV compound (0.1 mM) was tested in minimal media containing ethanol and glycerol as carbon sources (Yeast Nitrogen Base, Ethanol, Glycerol; YNBEG). The growth rate in the presence of each MMV compound was calculated as follows: (i) the first 10 OD readings were averaged and subtracted from all OD readings of the corresponding curve to set the baseline of the growth curve to zero, and (ii) the area under the curve (AUC) was then calculated as the sum of all OD readings. AUC was calculated following 180 OD readings, corresponding to roughly 45 h of growth. A relative growth value was calculated as follows: AUC(DRUG) - AUC(DMSO)/AUC(DMSO); where AUC(DMSO) represents growth measured in a DMSO control well that was on the same microtiter plate of the drug-treated culture. A relative growth value near zero means the compound had little or no effect on growth, whereas a value near -1 means the compound strongly or completely inhibited growth. |
CHEMBL3301546 |
| Saccharomyces cerevisiae |
Relative Growth |
= |
-0.0768 |
|
MMV: Growth assays were conducted using the prototrophic S. cerevisiae strain JHY222. Each MMV compound (0.1 mM) was tested in rich media containing dextrose as a carbon source (Yeast Extract, Peptone, Dextrose; YPD). The growth rate in the presence of each MMV compound was calculated as follows: (i) the first 10 OD readings were averaged and subtracted from all OD readings of the corresponding curve to set the baseline of the growth curve to zero, and (ii) the area under the curve (AUC) was then calculated as the sum of all OD readings. AUC was calculated following 80 OD readings corresponding to roughly 20 h of growth. A relative growth value was calculated as follows: AUC(DRUG) - AUC(DMSO)/AUC(DMSO); where AUC(DMSO) represents growth measured in a DMSO control well that was on the same microtiter plate of the drug-treated culture. A relative growth value near zero means the compound had little or no effect on growth, whereas a value near -1 means the compound strongly or completely inhibited growth. |
CHEMBL3301546 |
| Plasmodium falciparum |
Growth Inhibition |
= |
13.52 |
% |
MMV: Measure of pLDH activity as indication of parasite viability. Gametocytogenesis of 3D7 Plasmodium falciparum strain was induced in vitro and asexual parasites were depleted with N-acetylglucosamine. Gametocytes were treated with dihydroartemisinin, epoxomicin, methylene blue, primaquine, puromycin or chloroquine in 96-well plates and the pLDH activity was evaluated using a modified Makler protocol. Mosquito infectivity was measured by the standard membrane feeding assay. |
CHEMBL3301555 |
| Putative uncharacterized protein pk7 |
IC50 |
> |
1000.0 |
nM |
MMV: PK7 Protein kinase inhibition assay using recombinant PfPK7, ATP and KinaseGlo to measure % inhibition at 1 uM MMV box compound. Final concentrations were 1 uM ATP, 2 mM DTT, 20 mM MgCl2, 2 mM MnCl2, 0.01% BSA, and 6 ug/ml PK7, in a buffer of 20 mM Tris-HCl (pH 7.5). The enzyme itself was the only substrate present (since autophosphorylation occurs); 100 uM 1NA-PP1 was used as a control inhibitor. Incubation time was 3 hours. |
CHEMBL3301562 |
| Mitogen-activated protein kinase |
IC50 |
> |
1000.0 |
nM |
MMV: MAP2K Protein kinase inhibition assay using recombinant PfMAP2K, protein substrate, ATP and KinaseGlo to measure % inhibition at 1 uM MMV box compound. Final concentrations were 1 uM ATP, 0.5 mM DTT, 1 mM MgCl2, 0.5 mg/mL BSA, and 10 ug/ml MAP2 in a buffer of 50 mM HEPES (pH 7.0). 0.5 mg/mL histone III-S served as the substrate (13); 100 uM AMP-PNP, an ATP analog, was used as a control inhibitor. Incubation time was 4 hours. |
CHEMBL3301562 |
| Proline--tRNA ligase |
IC50 |
> |
2500.0 |
nM |
MMV: ProRS recombinant Plasmodium falciparum Prolyl-tRNA-synthetase, assay with yeast tRNA, ATP, and proline and 3 uM MMV malaria box compound, assay read out with kinase glo as % inhibition. |
CHEMBL3301562 |
| Calcium-dependent protein kinase 1 |
IC50 |
> |
1000.0 |
nM |
MMV: CDPK1 Protein kinase inhibition assay using recombinant PfCDPK1, syntide 2 peptide substrate, ATP and KinaseGlo to measure % inhibition at 1 uM MMV box compound. |
CHEMBL3301562 |
| Lysine--tRNA ligase |
IC50 |
> |
2500.0 |
nM |
MMV: KRS recombinant Plasmodium falciparum Lysyl-tRNA-synthetase, assay with yeast tRNA, ATP, and lysine and 3 uM MMV malaria box compound, assay read out with kinase glo as % inhibition. |
CHEMBL3301562 |
| Cdk-related protein kinase 6 |
IC50 |
> |
1000.0 |
nM |
MMV: PK6 Protein kinase inhibition assay using recombinant PfPK6, Myelin Basic Protein (MBP) substrate, ATP and KinaseGlo to measure % inhibition at 1 uM MMV box compound. Final concentrations were 1.5 uM ATP, 5 mM MnCl2, and 15 ug/ml PK6 in a buffer of 100 mM Tris-HCl (pH 7.5). 50 ug/mL MBP was provided as the substrate; 10 uM staurosporine was used as a control inhibitor. Incubation time was 3 hours and 40 minutes.The catalytic activity of each kinase was considered proportional to ATP consumed, as determined from measurements of residual [ATP] with the luciferase-based reagent Kinase-Glo (Promega) following incubation. Luminescence (proportional to residual [ATP]) was measured on the plate readers FLx800 (BioTek Instruments, Winooski, VT, USA) and MicroBeta2. |
CHEMBL3301562 |
| Calcium-dependent protein kinase 4 |
IC50 |
> |
1000.0 |
nM |
MMV: CDPK4 Protein kinase inhibition assay using recombinant PfCDPK4, syntide2 peptide substrate, ATP and KinaseGlo to measure % inhibition at 1 uM MMV box compound. |
CHEMBL3301562 |
| Hexose transporter 1 |
IC50 |
> |
12000.0 |
nM |
ST_JUDE_LEISH: Cytotoxicity against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro |
CHEMBL3433997 |
| Glucose transporter |
IC50 |
> |
12000.0 |
nM |
ST_JUDE_LEISH: Cytotoxicity against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro |
CHEMBL3433997 |
| Glucose transporter |
IC50 |
> |
12000.0 |
nM |
ST_JUDE_LEISH: Cytotoxicity against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro |
CHEMBL3433997 |
| Replicase polyprotein 1ab |
Inhibition |
= |
7.65 |
% |
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate |
CHEMBL4495564 |
| SARS-CoV-2 |
Inhibition |
= |
-0.08 |
% |
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 |
| SARS-CoV-2 |
Inhibition |
= |
-0.08 |
% |
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 |
| Hepatitis C virus |
EC50 |
= |
50000.0 |
nM |
Antiviral activity against HCV by replicon assay |
CHEMBL5131483 |
