Assay Detail
Binding
CHEMBL5731052
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Fatty Acid Synthase Keto-reductase Domain (FASN KR) Inhibition: 10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μM, 10 μM, 3 μM, 1 μM, 0.30 μM, 0.10 μM, 0.03 μM and 0.01 μM)/DMSO, 10 μL hFASN enzyme (full length, 300 ng, purified in house) and 360 μM NADPH (except in blank) were then added. Then, 10 μL 180 mM ethyl acetoacetate (Aldrich 688983) was added, mixed and immediately thereafter, the absorbance at 340 nm (T1) by Multiscan (Labsystems) was measured. After 20 minutes incubation at room temperature the plate was measured again (T2).Enzymatic activity of FASN KR was measured as the oxidation of NADPH to NADP+ (a decrease in NADPH signal was observed at OD 340 nm). The decrease in absorbance was calculated as (Absorbance before incubation T1)−(Absorbance following incubation T2).Raw data generated by the instrument were normalized to % Controlmin values, which were calculated as: % Controlmin=100*(x−mLC)/(mHC−mLC)where mLC and mHC were the means of the low control wells and high control wells on the plate, after manual exclusion of outliers. A plot of Controlmin versus test compound concentration was fitted to a 4-parameter logistic curve using a non-linear least squares regression method. From the plot, an IC50 (concentration at which 50% inhibition is achieved) was calculated. pIC50 values were calculated as −log(IC50), when IC50 is expressed in molar units.
210
Total Activities
69
Compounds Tested
3
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Confidence | 0 — Uncurated / Unknown |
| Curated By | Autocuration |
Publication
Imidazolin-5-one derivative useful as FASN inhibitors for the treatment of cancer
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 70 | 6.55 | 7.60 |
| kon | 70 | - | - |
| k_off | 70 | - | - |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL6034162 | — | — | 3 | 7.60 |
| CHEMBL5876718 | — | — | 3 | 7.38 |
| CHEMBL5969695 | — | — | 3 | 7.32 |
| CHEMBL5922011 | — | — | 3 | 7.30 |
| CHEMBL5957211 | — | — | 3 | 7.28 |
| CHEMBL5839177 | — | — | 3 | 7.27 |
| CHEMBL5760930 | — | — | 3 | 7.27 |
| CHEMBL3617742 | — | — | 3 | 7.25 |
| CHEMBL5788711 | — | — | 3 | 7.23 |
| CHEMBL5977971 | — | — | 3 | 7.20 |
| CHEMBL5863279 | — | — | 3 | 7.17 |
| CHEMBL5855781 | — | — | 3 | 7.17 |
| CHEMBL5858978 | — | — | 3 | 7.14 |
| CHEMBL5974575 | — | — | 3 | 7.13 |
| CHEMBL5750822 | — | — | 3 | 7.06 |
| CHEMBL6035580 | — | — | 3 | 6.97 |
| CHEMBL6030711 | — | — | 3 | 6.96 |
| CHEMBL5943600 | — | — | 3 | 6.95 |
| CHEMBL5824348 | — | — | 3 | 6.92 |
| CHEMBL6032013 | — | — | 3 | 6.90 |
| CHEMBL6051120 | — | — | 3 | 6.89 |
| CHEMBL3617741 | — | — | 3 | 6.86 |
| CHEMBL5802991 | — | — | 3 | 6.81 |
| CHEMBL5990353 | — | — | 3 | 6.80 |
| CHEMBL5788930 | — | — | 3 | 6.76 |
| CHEMBL5985038 | — | — | 3 | 6.75 |
| CHEMBL6039031 | — | — | 3 | 6.73 |
| CHEMBL5917086 | — | — | 6 | 6.67 |
| CHEMBL5938748 | — | — | 3 | 6.65 |
| CHEMBL5892433 | — | — | 3 | 6.62 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL6034162 | — | IC50 | = | 25.1 | nM | 7.60 |
| CHEMBL5876718 | — | IC50 | = | 41.7 | nM | 7.38 |
| CHEMBL5969695 | — | IC50 | = | 47.9 | nM | 7.32 |
| CHEMBL5922011 | — | IC50 | = | 50.1 | nM | 7.30 |
| CHEMBL5957211 | — | IC50 | = | 52.5 | nM | 7.28 |
| CHEMBL5760930 | — | IC50 | = | 53.7 | nM | 7.27 |
| CHEMBL5839177 | — | IC50 | = | 53.7 | nM | 7.27 |
| CHEMBL3617742 | — | IC50 | = | 56.2 | nM | 7.25 |
| CHEMBL5788711 | — | IC50 | = | 58.9 | nM | 7.23 |
| CHEMBL5977971 | — | IC50 | = | 63.1 | nM | 7.20 |
| CHEMBL5855781 | — | IC50 | = | 67.6 | nM | 7.17 |
| CHEMBL5863279 | — | IC50 | = | 67.6 | nM | 7.17 |
| CHEMBL5858978 | — | IC50 | = | 72.4 | nM | 7.14 |
| CHEMBL5974575 | — | IC50 | = | 74.1 | nM | 7.13 |
| CHEMBL5750822 | — | IC50 | = | 87.1 | nM | 7.06 |
| CHEMBL6035580 | — | IC50 | = | 107.0 | nM | 6.97 |
| CHEMBL6030711 | — | IC50 | = | 110.0 | nM | 6.96 |
| CHEMBL5943600 | — | IC50 | = | 112.0 | nM | 6.95 |
| CHEMBL5824348 | — | IC50 | = | 120.0 | nM | 6.92 |
| CHEMBL6032013 | — | IC50 | = | 126.0 | nM | 6.90 |
| CHEMBL6051120 | — | IC50 | = | 129.0 | nM | 6.89 |
| CHEMBL3617741 | — | IC50 | = | 138.0 | nM | 6.86 |
| CHEMBL5802991 | — | IC50 | = | 155.0 | nM | 6.81 |
| CHEMBL5990353 | — | IC50 | = | 158.0 | nM | 6.80 |
| CHEMBL5788930 | — | IC50 | = | 174.0 | nM | 6.76 |
| CHEMBL5985038 | — | IC50 | = | 178.0 | nM | 6.75 |
| CHEMBL6039031 | — | IC50 | = | 186.0 | nM | 6.73 |
| CHEMBL5917086 | — | IC50 | = | 214.0 | nM | 6.67 |
| CHEMBL5938748 | — | IC50 | = | 224.0 | nM | 6.65 |
| CHEMBL5892433 | — | IC50 | = | 240.0 | nM | 6.62 |
| CHEMBL6003285 | — | IC50 | = | 251.0 | nM | 6.60 |
| CHEMBL5917748 | — | IC50 | = | 269.0 | nM | 6.57 |
| CHEMBL5822742 | — | IC50 | = | 282.0 | nM | 6.55 |
| CHEMBL5767579 | — | IC50 | = | 302.0 | nM | 6.52 |
| CHEMBL3617744 | — | IC50 | = | 324.0 | nM | 6.49 |
| CHEMBL3617743 | — | IC50 | = | 347.0 | nM | 6.46 |
| CHEMBL5749645 | — | IC50 | = | 355.0 | nM | 6.45 |
| CHEMBL5865379 | — | IC50 | = | 355.0 | nM | 6.45 |
| CHEMBL5963009 | — | IC50 | = | 363.0 | nM | 6.44 |
| CHEMBL5896696 | — | IC50 | = | 389.0 | nM | 6.41 |
| CHEMBL5929792 | — | IC50 | = | 389.0 | nM | 6.41 |
| CHEMBL4127768 | — | IC50 | = | 417.0 | nM | 6.38 |
| CHEMBL5759977 | — | IC50 | = | 417.0 | nM | 6.38 |
| CHEMBL5777034 | — | IC50 | = | 437.0 | nM | 6.36 |
| CHEMBL5811059 | — | IC50 | = | 468.0 | nM | 6.33 |
| CHEMBL5881362 | — | IC50 | = | 468.0 | nM | 6.33 |
| CHEMBL5976657 | — | IC50 | = | 468.0 | nM | 6.33 |
| CHEMBL5791788 | — | IC50 | = | 479.0 | nM | 6.32 |
| CHEMBL5918198 | — | IC50 | = | 537.0 | nM | 6.27 |
| CHEMBL6006978 | — | IC50 | = | 550.0 | nM | 6.26 |