| S-adenosylmethionine decarboxylase 1 |
Ki |
= |
300000.0 |
nM |
In vitro inhibitory activity against S-adenosyl-L-methionine decarboxylase using liver from rat in absence of putrescine |
CHEMBL1122056 |
| S-adenosylmethionine decarboxylase 1 |
Ki |
= |
60000.0 |
nM |
In vitro inhibitory activity against S-adenosyl-L-methionine decarboxylase using liver from rat in presence of 1 mM putrescine |
CHEMBL1122056 |
| S-adenosylmethionine decarboxylase 1 |
Inactivation time |
= |
100.0 |
min |
Time required for the half inactivation of S-Adenosyl-L-methionine decarboxylase was determined with 0.2 mM of compound |
CHEMBL1122056 |
| S-adenosylmethionine decarboxylase 1 |
Inactivation time |
= |
25.0 |
min |
Time required for the half inactivation of S-Adenosyl-L-methionine decarboxylase was determined with 0.2 mM of compound along with 1 mM NaBH3CN |
CHEMBL1122056 |
| S-adenosylmethionine decarboxylase 1 |
Inactivation time |
= |
28.0 |
min |
Time required for the half inactivation of S-Adenosyl-L-methionine decarboxylase was determined with 1 mM of compound |
CHEMBL1122056 |
| S-adenosylmethionine decarboxylase 1 |
Inactivation time |
= |
77.0 |
min |
Time required for the half inactivation of S-adenosyl-L-methionine decarboxylase with 1 mM of compound along with 0.05 mM of [5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl]-dimethyl-sulfonium; iodide |
CHEMBL1122056 |
| Catechol O-methyltransferase |
Km |
= |
44600.0 |
nM |
In vitro inhibitory activity against Catechol-O-methyltransferase from porcine liver |
CHEMBL1130076 |
| Leishmania donovani |
Km |
= |
55000.0 |
nM |
Apparent kinetic activity measured for protein carboxyl methyltransferase in Leishmania donovani promastigotes |
CHEMBL1125204 |
| S-adenosylmethionine decarboxylase 1 |
Activity |
= |
69.0 |
% |
Tested for S-adenosyl-L-methionine decarboxylase activity recovered after 40 min of 0.2 nM compound in incubation media |
CHEMBL1121382 |
| S-adenosylmethionine decarboxylase 1 |
Activity |
= |
17.0 |
% |
Tested for S-adenosyl-L-methionine decarboxylase activity recovered after 40 min of 0.2 nM +1 mM NaBH3CN compound in incubation media |
CHEMBL1121382 |
| S-adenosylmethionine decarboxylase 1 |
Activity |
= |
43.0 |
% |
Tested for S-adenosyl-L-methionine decarboxylase activity recovered after 80 min of 0.2 nM compound in incubation media |
CHEMBL1121382 |
| S-adenosylmethionine decarboxylase 1 |
Km |
= |
51400.0 |
nM |
Km of compound for S-adenosyl-L-methionine decarboxylase |
CHEMBL1121382 |
| S-adenosylmethionine decarboxylase 1 |
Vmax |
= |
8.72 |
|
Tested for kinetic constant (Vmax) of compound for S-adenosyl-L-methionine decarboxylase |
CHEMBL1121382 |
| Protein-beta-aspartate methyltransferase |
Ki |
= |
48000.0 |
nM |
Kinetic constant was measured for PMII of Leishmania donovani promastigotes using supernatant (S12) fraction |
CHEMBL1126291 |
| Protein-beta-aspartate methyltransferase |
Ki |
= |
164000.0 |
nM |
Kinetic constant was measured for PMII of Leishmania donovani promastigotes using protein extracted from the 12000 g pellet (P12). |
CHEMBL1126291 |
| Phenylethanolamine N-methyltransferase |
Kd |
= |
4800.0 |
nM |
Activity of human wild type PNMT assessed as phenylethanolamine methylation |
CHEMBL1139475 |
| Phenylethanolamine N-methyltransferase |
Kd |
= |
7100.0 |
nM |
Activity of human PNMT V53A mutant assessed as phenylethanolamine methylation |
CHEMBL1139475 |
| Phenylethanolamine N-methyltransferase |
Km |
= |
9600.0 |
nM |
Activity of human PNMT V53A mutant assessed as phenylethanolamine methylation |
CHEMBL1139475 |
| Phenylethanolamine N-methyltransferase |
Km |
= |
1200.0 |
nM |
Activity of human wild type PNMT assessed as phenylethanolamine methylation |
CHEMBL1139475 |
| Phenylethanolamine N-methyltransferase |
Kd |
= |
10700.0 |
nM |
Activity of human PNMT K57A mutant assessed as phenylethanolamine methylation |
CHEMBL1139475 |
| Phenylethanolamine N-methyltransferase |
Km |
= |
11700.0 |
nM |
Activity of human PNMT K57A mutant assessed as phenylethanolamine methylation |
CHEMBL1139475 |
| Phenylethanolamine N-methyltransferase |
Kd |
= |
7500.0 |
nM |
Activity of human PNMT E219A mutant assessed as phenylethanolamine methylation |
CHEMBL1139475 |
| Phenylethanolamine N-methyltransferase |
Km |
= |
7100.0 |
nM |
Activity of human PNMT E219A mutant assessed as phenylethanolamine methylation |
CHEMBL1139475 |
| Phenylethanolamine N-methyltransferase |
Kd |
= |
11000.0 |
nM |
Activity of human PNMT D267A mutant assessed as phenylethanolamine methylation |
CHEMBL1139475 |
| Phenylethanolamine N-methyltransferase |
Km |
= |
2400.0 |
nM |
Activity of human PNMT D267A mutant assessed as phenylethanolamine methylation |
CHEMBL1139475 |
| Phenylethanolamine N-methyltransferase |
Kd |
= |
7500.0 |
nM |
Activity of human PNMT D267N mutant assessed as phenylethanolamine methylation |
CHEMBL1139475 |
| Phenylethanolamine N-methyltransferase |
Km |
= |
7100.0 |
nM |
Activity of human PNMT D267N mutant assessed as phenylethanolamine methylation |
CHEMBL1139475 |
| 5-methylthioadenosine/S-adenosylhomocysteine deaminase |
Km |
|
|
|
Activity of Thermotoga maritima S-adenosyl-homocysteine deaminase Tm0936 assessed as ammonia production |
CHEMBL1145524 |
| 5-methylthioadenosine/S-adenosylhomocysteine deaminase |
Kcat |
= |
1.0 |
10^-3/s |
Activity of Thermotoga maritima S-adenosyl-homocysteine deaminase Tm0936 assessed as ammonia production |
CHEMBL1145524 |
| 5-methylthioadenosine/S-adenosylhomocysteine deaminase |
Kcat/Km |
|
|
|
Ratio of Kcat to Km for Thermotoga maritima S-adenosyl-homocysteine deaminase Tm0936 assessed as ammonia production |
CHEMBL1145524 |
| Protein-arginine N-methyltransferase 1 |
IC50 |
= |
12000.0 |
nM |
Inhibition of GST-fused human recombinant PRMT1 after 90 mins by SDS-PAGE based scintillation counting |
CHEMBL1156943 |
| Unchecked |
Kcat |
= |
0.9 |
/min |
Activity at Salinispora tropica CNB-440 wild type recombinant SalL expressed in Escherichia coli BL21(DE3) after 30 mins by HPLC analysis |
CHEMBL1212694 |
| Unchecked |
Km |
= |
1000.0 |
nM |
Activity at Salinispora tropica CNB-440 wild type recombinant SalL expressed in Escherichia coli BL21(DE3) after 30 mins by HPLC analysis |
CHEMBL1212694 |
| Unchecked |
Kcat/Km |
= |
900.0 |
/mM/min |
Ratio of Kcat to Km for Salinispora tropica CNB-440 wild type recombinant SalL expressed in Escherichia coli BL21(DE3) |
CHEMBL1212694 |
| 4'-phosphopantetheinyl transferase ffp |
Potency |
= |
31622.8 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) |
CHEMBL1201862 |
| Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 |
Potency |
|
3162.3 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] |
CHEMBL1201862 |
| Nucleic Acid |
Activity |
|
|
|
Binding affinity to 2-amino purine labelled SAM2 riboswitch aptamer assessed as change in fluorescence at 5 mM to 10 mM at pH 8.3 by fluorescence binding assay |
CHEMBL1817644 |
| Nucleic Acid |
Kd |
= |
6000.0 |
nM |
Binding affinity to 2-amino purine labelled SAM2 riboswitch aptamer assessed as change in fluorescence at 5 mM to 10 mM at pH 8.3 by fluorescence binding assay |
CHEMBL1817644 |
| Unchecked |
Kcat |
= |
3.9 |
/min |
Activity of wild type Paramecium bursaria Chlorella virus 1 vSET domain protein methyltransferase activity expressed in Escherichia coli BL21 (DE3) cells assessed as trimethylation at histone H3 lysine 27 residue measured after 30 mins by Michaelis-Menten equation analysis |
CHEMBL1932996 |
| Histone H3K27 methylase |
Kcat |
= |
0.00048 |
/min |
Activity of Paramecium bursaria Chlorella virus 1 vSET domain protein Y109G mutant methyltransferase activity expressed in Escherichia coli BL21 (DE3) cells assessed as trimethylation at histone H3 lysine 27 residue measured after 30 mins by Michaelis-Menten equation analysis |
CHEMBL1932996 |
| Histone H3K27 methylase |
Kcat |
= |
7.4 |
/min |
Activity of Paramecium bursaria Chlorella virus 1 vSET domain protein L116A mutant methyltransferase activity expressed in Escherichia coli BL21 (DE3) cells assessed as trimethylation at histone H3 lysine 27 residue measured after 30 mins by Michaelis-Menten equation analysis |
CHEMBL1932996 |
| Unchecked |
Kcat/Km |
= |
30952.0 |
/min/M |
Ratio of Kcat to Km for wild type Paramecium bursaria Chlorella virus 1 vSET methyltransferase activity expressed in Escherichia coli BL21 (DE3) cells assessed as trimethylation at histone H3 lysine 27 residue measured after 30 mins by Michaelis-Menten equation analysis |
CHEMBL1932996 |
| Histone H3K27 methylase |
Kcat/Km |
= |
7.7 |
/min/M |
Ratio of Kcat to Km for Paramecium bursaria Chlorella virus 1 vSET domain protein Y109G mutant methyltransferase activity expressed in Escherichia coli BL21 (DE3) cells assessed as trimethylation at histone H3 lysine 27 residue measured after 30 mins by Michaelis-Menten equation analysis |
CHEMBL1932996 |
| Histone H3K27 methylase |
Kcat/Km |
= |
123333.0 |
/min/M |
Ratio of Kcat to Km for Paramecium bursaria Chlorella virus 1 vSET domain protein L116A mutant methyltransferase activity expressed in Escherichia coli BL21 (DE3) cells assessed as trimethylation at histone H3 lysine 27 residue measured after 30 mins by Michaelis-Menten equation analysis |
CHEMBL1932996 |
| Unchecked |
Km |
= |
126000.0 |
nM |
Activity of wild type Paramecium bursaria Chlorella virus 1 vSET domain protein methyltransferase activity expressed in Escherichia coli BL21 (DE3) cells assessed as trimethylation at histone H3 lysine 27 residue measured after 30 mins by Michaelis-Menten equation analysis |
CHEMBL1932996 |
| Histone H3K27 methylase |
Km |
= |
62000.0 |
nM |
Activity of Paramecium bursaria Chlorella virus 1 vSET domain protein Y109G mutant methyltransferase activity expressed in Escherichia coli BL21 (DE3) cells assessed as trimethylation at histone H3 lysine 27 residue measured after 30 mins by Michaelis-Menten equation analysis |
CHEMBL1932996 |
| Histone H3K27 methylase |
Km |
= |
60000.0 |
nM |
Activity of Paramecium bursaria Chlorella virus 1 vSET domain protein L116A mutant methyltransferase activity expressed in Escherichia coli BL21 (DE3) cells assessed as trimethylation at histone H3 lysine 27 residue measured after 30 mins by Michaelis-Menten equation analysis |
CHEMBL1932996 |
| Met repressor |
Kd |
= |
4.0 |
nM |
Binding affinity to Escherichia coli metJ in presence of operator DNA complex by filter binding study |
CHEMBL1938273 |
| Met repressor |
EC50 |
= |
17.3 |
nM |
Binding affinity to Escherichia coli metJ assessed as protein dimer-DNA complex formation using F-metC operator DNA by fluorescence anisotropy |
CHEMBL1938273 |
| Peripheral myelin protein 22 |
Potency |
|
12.8 |
nM |
PUBCHEM_BIOASSAY: S16 Schwann cell PMP22 intronic element firefly luciferase assay. (Class of assay: confirmatory) |
CHEMBL1201862 |
| NON-PROTEIN TARGET |
Hepatotoxicity (moderate) |
= |
2.0 |
|
Moderate liver toxicity, defined via clinical-chemistry results: ALT or AST serum activity 6 times the normal upper limit (N) or alkaline phosphatase serum activity of 1.7 N. Value is number of references indexed. [column 'BIOL' in source] |
CHEMBL3137667 |
| NON-PROTEIN TARGET |
Hepatotoxicity (moderate) |
= |
5.0 |
% |
Highest frequency of moderate liver toxicity observed during clinical trials, expressed as a percentage. [column '% BIOL' in source] |
CHEMBL3137667 |
| Unchecked |
Hepatotoxicity (acute) |
= |
1.0 |
|
Acute liver toxicity defined via clinical observations and clear clinical-chemistry results: serum ALT or AST activity > 6 N or serum alkaline phosphatases activity > 1.7 N. This category includes cytolytic, choleostatic and mixed liver toxicity. Value is number of references indexed. [column 'AIGUE' in source] |
CHEMBL3137667 |
| NON-PROTEIN TARGET |
Hepatotoxicity (acute) |
= |
0.0 |
% |
Highest frequency of acute liver toxicity observed during clinical trials, expressed as a percentage. [column '% AIGUE' in source] |
CHEMBL3137667 |
| Unchecked |
Hepatotoxicity (cytolytic) |
= |
1.0 |
|
Cytolytic liver toxicity, either proven histopathologically or where the ratio of maximal ALT or AST activity above normal to that of Alkaline Phosphatase is > 5 (see ACUTE). Value is number of references indexed. [column 'CYTOL' in source] |
CHEMBL3137667 |
| Unchecked |
Hepatotoxicity (choleostasis) |
= |
0.0 |
|
Choleostatic liver toxicity, either proven histopathologically or where the ratio of maximal ALT or AST activity above normal to that of Alkaline Phosphatase is < 2 (see ACUTE). Value is number of references indexed. [column 'CHOLE' in source] |
CHEMBL3137667 |
| Unchecked |
Hepatotoxicity (severe hepatitis) |
= |
0.0 |
|
Severe hepatitis, defined as possibly life-threatening liver failure or through clinical observations. Value is number of references indexed. [column 'MASS' in source] |
CHEMBL3137667 |
| Unchecked |
Hepatotoxicity (chronic liver disease) |
= |
0.0 |
|
Chronic liver disease either proven histopathologically, or through a chonic elevation of serum amino-transferase activity after 6 months. Value is number of references indexed. [column 'CHRON' in source] |
CHEMBL3137667 |
| Unchecked |
Hepatotoxicity (cirrhosis) |
= |
0.0 |
|
Cirrhosis, proven histopathologically. Value is number of references indexed. [column 'CIRRH' in source] |
CHEMBL3137667 |
| NON-PROTEIN TARGET |
Hepatotoxicity (granulomatous hepatitis) |
= |
0.0 |
|
Granulomatous liver disease, proven histopathologically. Value is number of references indexed. [column 'GRAN' in source] |
CHEMBL3137667 |
| Unchecked |
Hepatotoxicity (association with vascular disease) |
= |
0.0 |
|
Liver damage due to vascular disease: peliosis hepatitis, hepatic veno-occlusive disease, Budd-Chiari syndrome. Value is number of references indexed. [column 'VASC' in source] |
CHEMBL3137667 |
| Unchecked |
Hepatotoxicity (steatosis) |
= |
0.0 |
|
Steatosis, proven histopathologically. Value is number of references indexed. [column 'STEAT' in source] |
CHEMBL3137667 |
| Unchecked |
Hepatotoxicity (malignant tumour) |
= |
0.0 |
|
Malignant tumor, proven histopathologically. Value is number of references indexed. [column 'T.MAL' in source] |
CHEMBL3137667 |
| NON-PROTEIN TARGET |
Hepatotoxicity (benign tumour) |
= |
0.0 |
|
Benign tumor, proven histopathologically. Value is number of references indexed. [column 'T.BEN' in source] |
CHEMBL3137667 |
| NON-PROTEIN TARGET |
Hepatotoxicity (animal toxicity known) |
|
|
|
Animal toxicity known. [column 'TOXIC' in source] |
CHEMBL3137667 |
| Unchecked |
Hepatotoxicity (successful reintroduction) |
|
|
|
Presence of at least one case with successful reintroduction. [column 'REINT' in source] |
CHEMBL3137667 |
| Unchecked |
Hepatotoxicity (comment) |
|
|
|
Comments (NB not yet translated). [column 'COMMENTAIRES' in source] |
CHEMBL3137667 |
| NON-PROTEIN TARGET |
Hepatotoxicity (time to onset) |
|
|
|
Times to onset, minimal and maximal, observed in the indexed observations. [column 'DELAI' in source] |
CHEMBL3137667 |
| NON-PROTEIN TARGET |
Hepatotoxicity (mechanism) |
|
|
|
Proposed mechanism(s) of liver damage. [column 'MEC' in source] |
CHEMBL3137667 |
| No relevant target |
Rf |
= |
0.34 |
|
Retardation factor, Rf of the compound on silica gel GF containing 5% Na2HPO4 by chromatography |
CHEMBL3244179 |
| No relevant target |
Rf |
= |
0.2 |
|
Retardation factor, Rf of the compound on silica gel GF containing EtOH-HOAc-H2O (20:2:2)/0.1 M phosphate buffer at 7.4 by chromatography |
CHEMBL3244179 |
