Assay Detail
Binding
CHEMBL3075002
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Inhibition of tubulin polymerization in Homo sapiens (human) solid tumor cells
43
Total Activities
43
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 5 — Multiple protein complex / RNA |
| Curated By | Autocuration |
Publication
Development of robust QSAR model using rapid overlay of crystal structures (ROCS) based alignment: a test case of Tubulin inhibitors
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 43 | 5.18 | 5.92 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL2298917 | — | — | 1 | 5.92 |
| CHEMBL308075 | — | — | 1 | 5.70 |
| CHEMBL114212 | — | — | 1 | 5.70 |
| CHEMBL432421 | — | — | 1 | 5.70 |
| CHEMBL47426 | — | — | 1 | 5.66 |
| CHEMBL75283 | — | — | 1 | 5.57 |
| CHEMBL319183 | — | — | 1 | 5.52 |
| CHEMBL422246 | — | — | 1 | 5.52 |
| CHEMBL324796 | — | — | 1 | 5.52 |
| CHEMBL324944 | — | — | 1 | 5.52 |
| CHEMBL86736 | — | — | 1 | 5.51 |
| CHEMBL10557 | — | — | 1 | 5.48 |
| CHEMBL312992 | — | — | 1 | 5.47 |
| CHEMBL345556 | — | — | 1 | 5.46 |
| CHEMBL2299098 | — | — | 1 | 5.46 |
| CHEMBL311636 | 8Z-3,4',5-TRIMETHOXYSTILBENE | — | 1 | 5.42 |
| CHEMBL102557 | — | — | 1 | 5.40 |
| CHEMBL330407 | — | — | 1 | 5.40 |
| CHEMBL103333 | — | — | 1 | 5.40 |
| CHEMBL67 | COMBRETASTATIN A4 | -1.0 | 1 | 5.40 |
| CHEMBL103062 | — | — | 1 | 5.30 |
| CHEMBL317013 | — | — | 1 | 5.30 |
| CHEMBL73296 | — | — | 1 | 5.22 |
| CHEMBL103856 | — | — | 1 | 5.22 |
| CHEMBL2299100 | — | — | 1 | 5.21 |
| CHEMBL431388 | — | — | 1 | 5.13 |
| CHEMBL10121 | — | — | 1 | 5.11 |
| CHEMBL45348 | — | — | 1 | 5.10 |
| CHEMBL315541 | — | — | 1 | 5.06 |
| CHEMBL323820 | — | — | 1 | 5.05 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL2298917 | — | IC50 | = | 1202.26 | nM | 5.92 |
| CHEMBL308075 | — | IC50 | = | 1995.26 | nM | 5.70 |
| CHEMBL432421 | — | IC50 | = | 1995.26 | nM | 5.70 |
| CHEMBL114212 | — | IC50 | = | 1995.26 | nM | 5.70 |
| CHEMBL47426 | — | IC50 | = | 2187.76 | nM | 5.66 |
| CHEMBL75283 | — | IC50 | = | 2691.53 | nM | 5.57 |
| CHEMBL319183 | — | IC50 | = | 3019.95 | nM | 5.52 |
| CHEMBL422246 | — | IC50 | = | 3019.95 | nM | 5.52 |
| CHEMBL324796 | — | IC50 | = | 3019.95 | nM | 5.52 |
| CHEMBL324944 | — | IC50 | = | 3019.95 | nM | 5.52 |
| CHEMBL86736 | — | IC50 | = | 3090.3 | nM | 5.51 |
| CHEMBL10557 | — | IC50 | = | 3311.31 | nM | 5.48 |
| CHEMBL312992 | — | IC50 | = | 3388.44 | nM | 5.47 |
| CHEMBL345556 | — | IC50 | = | 3467.37 | nM | 5.46 |
| CHEMBL2299098 | — | IC50 | = | 3467.37 | nM | 5.46 |
| CHEMBL311636 | 8Z-3,4',5-TRIMETHOXYSTILBENE | IC50 | = | 3801.89 | nM | 5.42 |
| CHEMBL102557 | — | IC50 | = | 3981.07 | nM | 5.40 |
| CHEMBL330407 | — | IC50 | = | 3981.07 | nM | 5.40 |
| CHEMBL103333 | — | IC50 | = | 3981.07 | nM | 5.40 |
| CHEMBL67 | COMBRETASTATIN A4 | IC50 | = | 3981.07 | nM | 5.40 |
| CHEMBL317013 | — | IC50 | = | 5011.87 | nM | 5.30 |
| CHEMBL103062 | — | IC50 | = | 5011.87 | nM | 5.30 |
| CHEMBL73296 | — | IC50 | = | 6025.6 | nM | 5.22 |
| CHEMBL103856 | — | IC50 | = | 6025.6 | nM | 5.22 |
| CHEMBL2299100 | — | IC50 | = | 6165.95 | nM | 5.21 |
| CHEMBL431388 | — | IC50 | = | 7413.1 | nM | 5.13 |
| CHEMBL10121 | — | IC50 | = | 7762.47 | nM | 5.11 |
| CHEMBL45348 | — | IC50 | = | 7943.28 | nM | 5.10 |
| CHEMBL315541 | — | IC50 | = | 8709.64 | nM | 5.06 |
| CHEMBL323820 | — | IC50 | = | 8912.51 | nM | 5.05 |
| CHEMBL2299097 | — | IC50 | = | 8912.51 | nM | 5.05 |
| CHEMBL2298916 | — | IC50 | = | 10000.0 | nM | 5.00 |
| CHEMBL103582 | — | IC50 | = | 10000.0 | nM | 5.00 |
| CHEMBL356370 | — | IC50 | = | 16218.1 | nM | 4.79 |
| CHEMBL74590 | 7Z-3,4,4'-TRIMETHOXYSTILBENE | IC50 | = | 18197.01 | nM | 4.74 |
| CHEMBL2299096 | — | IC50 | = | 21877.62 | nM | 4.66 |
| CHEMBL150438 | — | IC50 | = | 22387.21 | nM | 4.65 |
| CHEMBL86960 | — | IC50 | = | 22908.68 | nM | 4.64 |
| CHEMBL74707 | — | IC50 | = | 23988.33 | nM | 4.62 |
| CHEMBL87209 | — | IC50 | = | 28840.32 | nM | 4.54 |
| CHEMBL87162 | — | IC50 | = | 36307.81 | nM | 4.44 |
| CHEMBL10127 | — | IC50 | = | 54954.09 | nM | 4.26 |
| CHEMBL2299099 | — | IC50 | = | 100000.0 | nM | 4.00 |