| Adenosine deaminase |
Km |
= |
31000.0 |
nM |
Kinetic constant (Km) for the deamination of compound by adenosine deaminase |
CHEMBL1132757 |
| Adenosine deaminase |
Vmax |
= |
353.0 |
uM min-1 (mg of protein)-1 |
Kinetic constant (Vmax) for the deamination of compound by adenosine deaminase |
CHEMBL1132757 |
| Adenosine deaminase |
Relative Vmax |
= |
122.0 |
|
Kinetic constant (relative Vmax) for the deamination of compound by adenosine deaminase |
CHEMBL1132757 |
| Adenosine deaminase |
Ratio |
= |
11.4 |
|
Ratio of kinetic constant (Vmax/Km) for the deamination of compound by adenosine deaminase |
CHEMBL1132757 |
| Unchecked |
IC50 |
= |
180000.0 |
nM |
Compound evaluated for the inhibitory concentration of S49 Mouse Lymphoma T-cells |
CHEMBL1123148 |
| Unchecked |
IC50 |
= |
30.0 |
nM |
Compound along with 10 uM of erythro-9-(2-hydroxy-3-nonyl)adenine (EHNA) was tested against mouse lymphoma T-cells |
CHEMBL1123148 |
| Adenylate cyclase type V |
IC50 |
= |
15000.0 |
nM |
Compound was evaluated for inhibition of adenylate cyclase from rat brain |
CHEMBL1148445 |
| ADMET |
MIC |
> |
400.0 |
ug.mL-1 |
Minimum inhibitory concentration required for antiviral activity to reduce HSV-1 (KOS) induced cytopathicity in human embryonic skin-muscle cells (ESM) |
CHEMBL1127647 |
| ADMET |
MIC |
> |
400.0 |
ug.mL-1 |
Minimum inhibitory concentration required for antiviral activity to reduce HSV-2 (G) induced cytopathicity in human embryonic skin-muscle cells (ESM) |
CHEMBL1127647 |
| Human herpesvirus 1 |
MIC |
> |
400.0 |
ug.mL-1 |
Minimum inhibitory concentration required for antiviral activity to reduce TK-HSV-1 (B2006) induced cytopathicity in human embryonic skin-muscle cells (ESM) |
CHEMBL1127647 |
| Vaccinia virus |
MIC |
> |
400.0 |
ug.mL-1 |
Minimum inhibitory concentration required for antiviral activity to reduce Vaccinia virus (VV) induced cytopathicity in human embryonic skin-muscle cells (ESM) |
CHEMBL1127647 |
| Vesicular stomatitis virus |
MIC |
> |
400.0 |
ug.mL-1 |
Minimum inhibitory concentration required for antiviral activity to reduce Vesicular stomatitis virus (VSV) induced cytopathicity in human embryonic skin-muscle cells (ESM) |
CHEMBL1127647 |
| HEL |
MIC |
> |
100.0 |
ug.mL-1 |
Minimum inhibitory concentration required for antiviral activity to reduce Varicella Zoster virus (VZV) (Oka) induced cytopathicity in human embryonic lung cells (HEL) |
CHEMBL1127647 |
| HEL |
MIC |
> |
100.0 |
ug.mL-1 |
Minimum inhibitory concentration required for antiviral activity to reduce TK Varicella Zoster virus (VZV) (07/1) induced cytopathicity in human embryonic lung cells (HEL) |
CHEMBL1127647 |
| HEL |
MIC |
> |
100.0 |
ug.mL-1 |
Minimum inhibitory concentration required for antiviral activity to reduce Cytomegalovirus (CMV) (Davis) induced cytopathicity in human embryonic lung cells (HEL) |
CHEMBL1127647 |
| HEL |
MIC |
> |
100.0 |
ug.mL-1 |
Minimum inhibitory concentration required for antiviral activity to reduce Cytomegalovirus (CMV) (AD-169) induced cytopathicity in human embryonic lung cells (HEL) |
CHEMBL1127647 |
| HeLa |
MIC |
= |
20.0 |
ug.mL-1 |
Minimum inhibitory concentration required for antiviral activity to reduce Respiratory syncytial virus (RSV) (Long) induced cytopathicity in human carcinoma cells (HeLa) |
CHEMBL1127647 |
| MDCK |
MIC |
> |
200.0 |
ug.mL-1 |
Minimum inhibitory concentration required for antiviral activity to reduce Influenza A virus (Ishikawa) induced cytopathicity in Madin-Darby canine kidney cells (MDCK) |
CHEMBL1127647 |
| MDCK |
MIC |
> |
200.0 |
ug.mL-1 |
Minimum inhibitory concentration required for antiviral activity to reduce influenza B virus (Singapore) induced cytopathicity in Madin-Darby canine kidney cells (MDCK) |
CHEMBL1127647 |
| ESM |
MIC |
> |
400.0 |
ug.mL-1 |
Minimum inhibitory concentration to reduce cytopathicity by 50% in morphology of human embryonic skin-muscle cells (ESM) |
CHEMBL1127647 |
| HeLa |
MIC |
= |
200.0 |
ug.mL-1 |
Minimum inhibitory concentration to reduce cytopathicity by 50% in morphology of human carcinoma cells (HeLa) |
CHEMBL1127647 |
| MDCK |
MIC |
> |
200.0 |
ug.mL-1 |
Minimum inhibitory concentration to reduce cytopathicity by 50% in morphology of Madin-Darby canine kidney cells (MDCK) |
CHEMBL1127647 |
| Thymidine kinase, cytosolic |
ID50 |
> |
1000.0 |
uM |
Compound was tested for inhibit phosphorylation of [3H]-D-T catalyzed by HSV 1 thymidine kinase |
CHEMBL1125350 |
| Thymidine kinase, cytosolic |
Activity |
|
|
|
Compound was tested for inhibit phosphorylation of [3H]-D-T catalyzed by human thymidine kinase; Inactive at 1 uM concentration |
CHEMBL1125350 |
| No relevant target |
P |
= |
0.28300000000000003 |
|
Partition coefficient in 1-octanol and 10 mM aqueous potassium phosphate buffer at pH 7.4 |
CHEMBL1124551 |
| Human herpesvirus 1 |
MIC |
> |
150.0 |
ug.mL-1 |
Antiviral activity against HSV-1(KOS) strain in primary rabbit kidney (PRK) / embryonic skin-muscle (E6SM) fibroblast culture lines |
CHEMBL1126104 |
| Human herpesvirus 2 |
MIC |
= |
100.0 |
ug.mL-1 |
Antiviral activity against HSV-2(G) strain in primary rabbit kidney (PRK) / embryonic skin-muscle (E6SM) fibroblast culture lines |
CHEMBL1126104 |
| Vaccinia virus |
MIC |
= |
150.0 |
ug.mL-1 |
Antiviral activity against vaccinia virus (VV) in primary rabbit kidney (PRK) / embryonic skin-muscle (E6SM) fibroblast culture lines |
CHEMBL1126104 |
| Vesicular stomatitis virus |
MIC |
> |
200.0 |
ug.mL-1 |
Antiviral activity against vesicular stomatitis virus (VSV) in primary rabbit kidney (PRK) / embryonic skin-muscle (E6SM) fibroblast culture lines |
CHEMBL1126104 |
| Vesicular stomatitis virus |
MIC |
> |
200.0 |
ug.mL-1 |
Antiviral activity against vesicular stomatitis virus (VSV) in HeLa cell culture lines, |
CHEMBL1126104 |
| Human poliovirus 1 |
MIC |
> |
200.0 |
ug.mL-1 |
Antiviral activity against polio virus type 1 in HeLa cell culture lines |
CHEMBL1126104 |
| Human coxsackievirus B4 |
MIC |
> |
200.0 |
ug.mL-1 |
Antiviral activity against coxsackie B4 virus in HeLa cell culture lines |
CHEMBL1126104 |
| Human coxsackievirus B4 |
MIC |
> |
200.0 |
ug.mL-1 |
Antiviral activity against coxsackie B4 in Vero cell culture lines |
CHEMBL1126104 |
| Human parainfluenza virus 3 |
MIC |
> |
200.0 |
ug.mL-1 |
Antiviral activity against parainfluenza virus type 3 in Vero cell culture lines |
CHEMBL1126104 |
| Mammalian orthoreovirus 1 |
MIC |
> |
200.0 |
ug.mL-1 |
Antiviral activity against reovirus type 1 in Vero cell culture lines |
CHEMBL1126104 |
| Sindbis virus |
MIC |
> |
200.0 |
ug.mL-1 |
Antiviral activity against sindbis virus in Vero cell culture lines |
CHEMBL1126104 |
| Semliki forest virus |
MIC |
> |
200.0 |
ug.mL-1 |
Antiviral activity against semliki forest virus (SFV) in Vero cell culture lines |
CHEMBL1126104 |
| Human immunodeficiency virus 1 |
MIC |
> |
20.0 |
ug.mL-1 |
Antiviral activity against (HIV-1) in MT-4 cells Value in parentheses is inhibitory concentration for cell growth (MT-4) |
CHEMBL1126104 |
| ATH-8 cell line |
ED50 |
> |
100.0 |
uM |
Protection of ATH8 cells against the cytopathic effect of HIV. |
CHEMBL1123791 |
| ATH-8 cell line |
ID50 |
> |
100.0 |
uM |
Required dose to reduce viability of normal uninfected ATH8 cells. |
CHEMBL1123791 |
| MT4 |
Toxicity |
= |
10.0 |
% |
Toxicity was determined by evaluation of cluster morphology and reclustering properties in mock infected MT-4 cells at 125 uM concentration; Range is 10-40 |
CHEMBL1123791 |
| MT4 |
Protection |
< |
10.0 |
% |
Protection was determined by evaluation of cluster morphology and reclustering properties in mock infected MT-4 cells at 125 uM concentration |
CHEMBL1123791 |
| MT4 |
Toxicity |
< |
10.0 |
% |
Toxicity was determined by evaluation of cluster morphology and reclustering properties in mock infected MT-4 cells at 5 uM concentration |
CHEMBL1123791 |
| MT4 |
Protection |
< |
10.0 |
% |
Protection was determined by evaluation of cluster morphology and reclustering properties in mock infected MT-4 cells at 5 uM concentration. |
CHEMBL1123791 |
| MT4 |
Toxicity |
< |
10.0 |
% |
Toxicity was determined by evaluation of cluster morphology and reclustering properties in mock infected MT-4 cells at 0.2 uM concentration |
CHEMBL1123791 |
| MT4 |
Protection |
< |
10.0 |
% |
Protection was determined by evaluation of cluster morphology and reclustering properties in mock infected MT-4 cells at 0.2 uM concentration |
CHEMBL1123791 |
| Adenosine A1 receptor |
Ki |
= |
23300.0 |
nM |
Affinity for the Adenosine A1 receptor in the presence of GTP (A1+GTP) by using [3H]-DPCPX as radioligand |
CHEMBL1128455 |
| Adenosine A1 receptor |
Displacement |
= |
31.0 |
% |
Binding affinity determined on Adenosine A1 receptor in rat brain membranes by measuring displacement of specific [3H]PIA as radioligand. |
CHEMBL1128285 |
| Adenosine A2a receptor |
Displacement |
= |
39.0 |
% |
Binding affinity determined on Adenosine A2A receptor in rat striatal membranes by measuring displacement of specific [3H]-CGS- 21680 as radioligand. |
CHEMBL1128285 |
| Adenosine A3 receptor |
Displacement |
= |
28.0 |
% |
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 |
| Human immunodeficiency virus 1 |
ED50 |
> |
100.0 |
uM |
Dose required to inhibit cytopathic effect of human immunodeficiency virus replication in MT-4 cells. |
CHEMBL1124230 |
| MT4 |
CD50 |
> |
100.0 |
uM |
Cytotoxic dose required to reduce the viability of normal uninfected MT-4 cells. |
CHEMBL1124230 |
| Deoxycytidine kinase |
Kcat |
= |
2.1 |
/s |
Activity of human wild type deoxycytidine kinase in presence of ATP |
CHEMBL1155044 |
| Deoxycytidine kinase |
Km |
= |
115000.0 |
nM |
Activity of human wild type deoxycytidine kinase in presence of ATP |
CHEMBL1155044 |
| Deoxycytidine kinase |
Kcat |
= |
0.37 |
/s |
Activity of human wild type deoxycytidine kinase in presence of UTP |
CHEMBL1155044 |
| Deoxycytidine kinase |
Km |
= |
8500.0 |
nM |
Activity of human wild type deoxycytidine kinase in presence of UTP |
CHEMBL1155044 |
| Deoxycytidine kinase |
Ratio |
= |
0.0182 |
/s/microM |
Ratio of Kcat for human wild type deoxycytidine kinase to Km for human wild type deoxycytidine kinase in presence of ATP |
CHEMBL1155044 |
| Deoxycytidine kinase |
Ratio |
= |
0.0435 |
/s/microM |
Ratio of Kcat for human wild type deoxycytidine kinase to Km for human wild type deoxycytidine kinase in presence of UTP |
CHEMBL1155044 |
| Unchecked |
Kcat |
= |
1.9 |
/s |
Activity of human deoxycytidine kinase C4S mutant in presence of ATP |
CHEMBL1155044 |
| Unchecked |
Km |
= |
311000.0 |
nM |
Activity of human deoxycytidine kinase C4S mutant in presence of ATP |
CHEMBL1155044 |
| Unchecked |
Kcat |
= |
0.24 |
/s |
Activity of human deoxycytidine kinase C4S mutant in presence of UTP |
CHEMBL1155044 |
| Unchecked |
Km |
= |
44000.0 |
nM |
Activity of human deoxycytidine kinase C4S mutant in presence of UTP |
CHEMBL1155044 |
| Unchecked |
Ratio |
= |
0.0061 |
/s/microM |
Ratio of Kcat for human deoxycytidine kinase C4S mutant to Km for deoxycytidine kinase C4S mutant in presence of ATP |
CHEMBL1155044 |
| Unchecked |
Ratio |
= |
0.0055 |
/s/microM |
Ratio of Kcat for human deoxycytidine kinase C4S mutant to Km for deoxycytidine kinase C4S mutant in presence of UTP |
CHEMBL1155044 |
| Woodchuck hepatitis virus |
Activity |
= |
1.5 |
|
Antiviral activity against woodchuck hepatitis virus infected woodchucks assessed as log reduction of serum viral DNA per ml of serum after 4 weeks |
CHEMBL1154402 |
| Deoxyadenosine kinase |
Km |
= |
29200.0 |
nM |
Activity of Staphylococcus aureus CCM 885 recombinant deoxyadenosine kinase |
CHEMBL1155163 |
| Deoxyadenosine kinase |
Vmax |
= |
4.1 |
U/mg |
Activity of Staphylococcus aureus CCM 885 recombinant deoxyadenosine kinase |
CHEMBL1155163 |
| Deoxyadenosine kinase |
Kcat |
= |
1.82 |
/s |
Activity of Staphylococcus aureus CCM 885 recombinant deoxyadenosine kinase |
CHEMBL1155163 |
| Deoxyadenosine kinase |
Kcat/Km |
= |
6.22 |
10'4/M/s |
Ratio of kcat to Km for Staphylococcus aureus CCM 885 recombinant deoxyadenosine kinase |
CHEMBL1155163 |
| Unchecked |
Ki |
= |
230.0 |
nM |
Inhibition of Trypanosoma brucei brucei 427 P2 transporter-mediated [3H]adenosine uptake by fluid scintillation counting in presence of 100 uM inosine |
CHEMBL1137633 |
| Unchecked |
Inhibition |
|
|
% |
Inhibition of Trypanosoma brucei brucei 427 P1 transporter-mediated [3H]adenosine uptake by fluid scintillation counting in presence of 100 uM adenine |
CHEMBL1137633 |
| Unchecked |
Inhibition |
= |
13.0 |
% |
Inhibition of penicillin-resistant Streptococcus pneumoniae 159 recombinant MurM at 1 mM by liquid scintillation counting |
CHEMBL1138621 |
| Unchecked |
Ki |
= |
11000.0 |
nM |
Displacement of [3H]adenine from adenine 1 receptor in rat brain cortical membrane by liquid scintillation counting |
CHEMBL1156038 |
| Unchecked |
Ki |
> |
100000.0 |
nM |
Displacement of [3H]adenine from adenine 1 receptor in HEK293 cells by liquid scintillation counting |
CHEMBL1156038 |
| Unchecked |
Ratio Ki |
> |
9.0 |
|
Selectivity ratio of Ki for adenine 1 receptor in HEK293 cells to Ki for adenine 1 receptor in rat brain cortical membrane |
CHEMBL1156038 |
| Unchecked |
Inhibition |
= |
29.0 |
% |
Inhibition of [3H]adenine binding to adenine 1 receptor in HEK293 cells at 100 uM by liquid scintillation counting |
CHEMBL1156038 |
| Duck hepatitis B virus |
Activity |
= |
40.0 |
% |
Antiviral activity against DHBV infected in duck hepatocytes assessed as inhibition of viral DNA replication at 10 ug/ml |
CHEMBL1255225 |
| Hepatitis B virus |
Activity |
= |
36.0 |
% |
Antiviral activity against HBV assessed as inhibition of viral DNA replication at 10 ug/mL |
CHEMBL1255225 |
| ADMET |
CC50 |
|
|
|
Cytotoxicity against HuH7 cells |
CHEMBL1255225 |
| Trichomonas vaginalis |
GI |
= |
48.7 |
% |
Growth inhibition of Trichomonas vaginalis T1 at 100 uM after 24 hrs by hemocytometry |
CHEMBL2029336 |
| Solute carrier organic anion transporter family member 1B3 |
Inhibition |
= |
106.41 |
% |
Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM |
CHEMBL3039007 |
| Solute carrier organic anion transporter family member 1B1 |
Inhibition |
= |
112.32 |
% |
Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM |
CHEMBL3039007 |
| L6 |
IC50 |
> |
250000.0 |
nM |
Cytotoxicity against rat L6 cells assessed as inhibition of cell viability after 48 hrs by MTT assay |
CHEMBL3217414 |
| HaCaT |
IC50 |
> |
250000.0 |
nM |
Cytotoxicity against human HaCaT cells assessed as inhibition of cell viability after 48 hrs by MTT assay |
CHEMBL3217414 |
| C6 |
IC50 |
> |
250000.0 |
nM |
Cytotoxicity against rat C6 cells assessed as inhibition of cell viability after 48 hrs by MTT assay |
CHEMBL3217414 |
| DU-145 |
IC50 |
> |
250000.0 |
nM |
Cytotoxicity against human DU145 cells assessed as inhibition of cell viability after 48 hrs by MTT assay |
CHEMBL3217414 |
| MCF7 |
IC50 |
> |
250000.0 |
nM |
Cytotoxicity against human MCF7 cells assessed as inhibition of cell viability after 48 hrs by MTT assay |
CHEMBL3217414 |
| Adenosine A3 receptor |
Inhibition |
= |
5.0 |
% |
Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cell membrane at 10 uM incubated for 180 mins by microplate beta scintillation counting based radioligand inhibition assay relative to control |
CHEMBL4828708 |
| Adenosine A2a receptor |
Inhibition |
= |
2.0 |
% |
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cell membrane ay 10 uM incubated for 30 mins by microplate beta scintillation counting based radioligand inhibition assay relative to control |
CHEMBL4828708 |
| Adenosine A1 receptor |
Inhibition |
= |
5.0 |
% |
Displacement [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membrane at 10 uM incubated for 60 mins by microplate beta scintillation counting based radioligand inhibition assay relative to control |
CHEMBL4828708 |
| Adenosine A2b receptor |
Inhibition |
= |
12.0 |
% |
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK cell membrane at 10 uM incubated for 30 mins by microplate beta scintillation counting based radioligand inhibition assay relative to control |
CHEMBL4828708 |
