| Adenosine deaminase |
Ki |
= |
4.0 |
nM |
Binding affinity (Ki) at calf intestinal adenosine deaminase. |
CHEMBL1126223 |
| Adenosine deaminase |
Ki |
= |
500.0 |
nM |
Compound was evaluated for the inhibition of adenosine deaminase |
CHEMBL1121750 |
| Adenosine deaminase |
Ki |
= |
0.4 |
nM |
Compound was evaluated for the inhibition of adenosine deaminase |
CHEMBL1121750 |
| Adenosine deaminase |
([I]/[S]0.5) |
= |
0.00042 |
|
Adenosine deaminase inhibition index |
CHEMBL1130254 |
| Adenosine deaminase |
Relative activity |
= |
1.0 |
|
Inhibition of adenosine deaminase by the compound relative to E/THNA |
CHEMBL1130254 |
| ADMET |
Ion enhancement |
= |
1.0 |
|
Relative ion enhancement, determined in pulsed ultrafiltration |
CHEMBL1130254 |
| Adenosine deaminase |
Ki |
= |
3.7 |
nM |
Inhibition constant against human adenosine deaminase was determined |
CHEMBL1136651 |
| Mus musculus |
Cmax |
= |
21271.23 |
nM |
Pharmacokinetic property (C(max)) was determined after ip administration of 32 mg/kg in mice |
CHEMBL1136651 |
| Mus musculus |
AUC |
= |
2200.0 |
ng.hr.mL-1 |
Pharmacokinetic property (AUC) was determined after ip administration of 32 mg/kg in mice |
CHEMBL1136651 |
| Mus musculus |
Cmax |
= |
3965.82 |
nM |
Pharmacokinetic property (C(max)) was determined after po administration of 32 mg/kg in mice |
CHEMBL1136651 |
| Mus musculus |
AUC |
= |
1000.0 |
ng.hr.mL-1 |
Pharmacokinetic property (AUC) was determined after po administration of 32 mg/kg in mice |
CHEMBL1136651 |
| Adenosine deaminase |
Ki |
= |
1.3 |
nM |
Ability to inhibit calf intestinal adenosine deaminase (ADA); No data |
CHEMBL1122062 |
| Unchecked |
Km/Ki |
= |
1.8 |
|
Upper limit of relative enzyme affinity of compound to the substrate. |
CHEMBL1122062 |
| Adenosine deaminase |
Ki |
= |
7.0 |
nM |
Binding affinity against calf intestine adenosine deaminase enzyme |
CHEMBL1122580 |
| Adenosine A1 receptor |
Ki |
= |
455.0 |
nM |
Binding affinity against adenosine A1 receptor from rat brain. |
CHEMBL1128362 |
| Adenosine A2a receptor |
Inhibition |
= |
60.0 |
% |
Binding affinity against Adenosine A2A receptor from rat brain |
CHEMBL1128362 |
| Adenosine A3 receptor |
Inhibition |
= |
57.0 |
% |
Inhibition of Adenosine A3 receptor from rat brain |
CHEMBL1128362 |
| Adenosine A3 receptor |
Inhibition |
= |
5.9 |
% |
Ability to inhibit the adenylyl cyclase in CHO cells stably transfected with rat Adenosine A3 receptor at the concentration of 40(uM) |
CHEMBL1128362 |
| Adenosine A3 receptor |
Effect |
= |
0.0 |
|
Agonist elicited inhibition of adenylyl cyclase via rat Adenosine A3 receptor in transfected CHO cells and effect on IB-MECA was determined from dose response curves at the concentration of 40(uM) |
CHEMBL1128362 |
| Adenosine receptors; A1 & A3 |
Ratio |
< |
1.0 |
|
Ratio of the binding affinities against rat brain A1 and A3 receptors, KiA1/KiA3. |
CHEMBL1128362 |
| Phosphodiesterase 1 |
Ki |
> |
200000.0 |
nM |
Inhibition of calcium-calmodulin dependent Phosphodiesterase 1 |
CHEMBL1130051 |
| Phosphodiesterase 2A |
Ki |
= |
2800.0 |
nM |
Inhibition of Phosphodiesterase 2 |
CHEMBL1130051 |
| Phosphodiesterase 3 |
Ki |
> |
200000.0 |
nM |
Inhibition of Phosphodiesterase 3 |
CHEMBL1130051 |
| Phosphodiesterase 4 |
Ki |
> |
200000.0 |
nM |
Inhibition of Phosphodiesterase 4 |
CHEMBL1130051 |
| Phosphodiesterase 5A |
Ki |
> |
200000.0 |
nM |
Inhibition of Phosphodiesterase 5 |
CHEMBL1130051 |
| Adenosine deaminase |
Ki |
= |
7.0 |
nM |
In vitro inhibition of adenosine deaminase isolated from calf intestine. |
CHEMBL1127841 |
| Phosphodiesterase 2A |
IC50 |
= |
5000.0 |
nM |
Inhibition of human platelet phosphodiesterase 2 |
CHEMBL1148432 |
| Adenosine deaminase |
Ki |
= |
10.0 |
nM |
Binding affinity against Adenosine deaminase from calf intestinal mucosa was determined |
CHEMBL1133835 |
| Adenosine deaminase |
Ki |
= |
7.0 |
nM |
Inhibition constant (Ki) against calf intestine adenosine deaminase |
CHEMBL1124034 |
| Adenosine deaminase |
Ki |
= |
4.3 |
nM |
Inhibition constant (Ki) against Human erythrocyte adenosine deaminase |
CHEMBL1124034 |
| HeLa |
ID50 |
= |
179.0 |
uM |
In vitro antitumor activity against human HeLa cell line at 72 h |
CHEMBL1124034 |
| HeLa |
ID50 |
= |
23.4 |
uM |
In vitro antitumor activity against human HeLa cell line at 144 h |
CHEMBL1124034 |
| KB |
ID50 |
= |
81.6 |
uM |
In vitro antitumor activity against human KB cell line at 72 h |
CHEMBL1124034 |
| KB |
ID50 |
= |
46.3 |
uM |
In vitro antitumor activity against human KB cell line at 144 h |
CHEMBL1124034 |
| P388 |
ID50 |
= |
27.2 |
uM |
In vitro antitumor activity against murine P388 cell line at 72 h |
CHEMBL1124034 |
| P388 |
ID50 |
= |
13.4 |
uM |
In vitro antitumor activity against murine doxorubicin resistant P388 cell line at 72 h |
CHEMBL1124034 |
| L1210 |
ID50 |
= |
22.9 |
uM |
In vitro antitumor activity against murine L1210 cell line at 72 h |
CHEMBL1124034 |
| Adenosine deaminase |
Ki |
= |
7.0 |
nM |
Inhibition of calf intestinal adenosine deaminase |
CHEMBL1125631 |
| Phosphodiesterase 2A |
Ki |
= |
1000.0 |
nM |
Inhibition of human phosphodiesterase 2 |
CHEMBL1139500 |
| Unchecked |
IC50 |
= |
1700.0 |
nM |
Inhibition of human phosphodiesterase 2 |
CHEMBL1155111 |
| HeLa |
Activity |
|
|
|
Induction of autophagy in human HeLa cells expressing EGFP-LC3 assessed as increase in LC3-2 level at 400 nM in presence of erythro-9-(3-(2-hydroxynonyl)adenine |
CHEMBL1250446 |
| Endoplasmic reticulum-associated amyloid beta-peptide-binding protein |
Potency |
= |
31622.8 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Lysine-specific demethylase 4D-like |
Potency |
= |
12589.3 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) |
CHEMBL1201862 |
| Survival motor neuron protein |
Potency |
= |
12589.3 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Survival motor neuron protein |
Potency |
= |
12589.3 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Aldehyde dehydrogenase 1A1 |
Potency |
= |
39810.7 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] |
CHEMBL1201862 |
| Aldehyde dehydrogenase 1A1 |
Potency |
= |
39810.7 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] |
CHEMBL1201862 |
| Arachidonate 15-lipoxygenase |
Potency |
= |
12589.3 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) |
CHEMBL1201862 |
| Anthrax lethal factor |
Potency |
= |
12589.3 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Cytochrome P450 3A4 |
Potency |
= |
39810.7 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] |
CHEMBL1201862 |
| Unchecked |
Potency |
= |
14125.4 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Lipid Storage Modulators. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Cytochrome P450 3A4 |
Potency |
= |
39810.7 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] |
CHEMBL1201862 |
| Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 |
Potency |
|
6309.6 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] |
CHEMBL1201862 |
| Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 |
Potency |
|
37685.8 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] |
CHEMBL1201862 |
| Chromobox protein homolog 1 |
Potency |
|
22387.2 |
nM |
PUBCHEM_BIOASSAY: qHTS Validation Assay for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] |
CHEMBL1201862 |
| Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 |
Potency |
|
23934.1 |
nM |
PUBCHEM_BIOASSAY: qHTS Validation Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504591] |
CHEMBL1201862 |
| Runt-related transcription factor 1/Core-binding factor subunit beta |
Potency |
|
22387.2 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] |
CHEMBL1201862 |
| Cytochrome P450 2C9 |
AC50 |
|
|
|
PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active |
CHEMBL1201862 |
| Cytochrome P450 2C19 |
AC50 |
|
|
|
PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active |
CHEMBL1201862 |
| Cytochrome P450 3A4 |
AC50 |
= |
39810.72 |
nM |
PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active |
CHEMBL1201862 |
| Cytochrome P450 1A2 |
AC50 |
= |
15848.93 |
nM |
PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active |
CHEMBL1201862 |
| Cytochrome P450 2D6 |
AC50 |
|
|
|
PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active |
CHEMBL1201862 |
| Ataxin-2 |
Potency |
|
35481.3 |
nM |
PUBCHEM_BIOASSAY: qHTS for Inhibitors of ATXN expression: Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588349, AID588380] |
CHEMBL1201862 |
| Unchecked |
Potency |
|
19952.6 |
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 |
| Unchecked |
Potency |
|
19952.6 |
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 |
| Tyrosyl-DNA phosphodiesterase 1 |
Potency |
|
25118.9 |
nM |
PubChem BioAssay. qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in absence of CPT. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Tyrosyl-DNA phosphodiesterase 1 |
Potency |
|
29092.9 |
nM |
PubChem BioAssay. qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in absence of CPT. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Tyrosyl-DNA phosphodiesterase 1 |
Potency |
|
2985.5 |
nM |
PubChem BioAssay. qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in absence of CPT. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Tyrosyl-DNA phosphodiesterase 1 |
Potency |
|
26608.6 |
nM |
PubChem BioAssay. qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in presence of CPT. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Tyrosyl-DNA phosphodiesterase 1 |
Potency |
|
29092.9 |
nM |
PubChem BioAssay. qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in presence of CPT. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Phosphodiesterase 2A |
IC50 |
= |
800.0 |
nM |
Inhibition of PDE2 (unknown origin) |
CHEMBL2384904 |
| Phosphodiesterase 2A |
IC50 |
= |
635.0 |
nM |
Inhibition of human PDE2A |
CHEMBL4425088 |
