Assay Detail
Binding
CHEMBL954102
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Inhibition of human ERG expressed in CHO cells by whole cell patch clamp technique
66
Total Activities
66
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Cell Type | CHO |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Target
Voltage-gated inwardly rectifying potassium channel KCNH2 (CHEMBL240) ↗| Type | SINGLE PROTEIN |
| Organism | Homo sapiens |
Publication
Support vector machines classification of hERG liabilities based on atom types.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 66 | 6.01 | 9.00 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL60796 | DESMETHEYLASTEMIZOLE | — | 1 | 9.00 |
| CHEMBL473 | DOFETILIDE | 4.0 | 1 | 8.00 |
| CHEMBL296419 | ASTEMIZOLE | 4.0 | 1 | 8.00 |
| CHEMBL12713 | SERTINDOLE | 4.0 | 1 | 8.00 |
| CHEMBL533 | IBUTILIDE | 4.0 | 1 | 8.00 |
| CHEMBL327980 | — | — | 1 | 7.70 |
| CHEMBL61301 | TECASTEMIZOLE | 2.0 | 1 | 7.55 |
| CHEMBL54 | HALOPERIDOL | 4.0 | 1 | 7.52 |
| CHEMBL1108 | DROPERIDOL | 4.0 | 1 | 7.49 |
| CHEMBL1729 | CISAPRIDE | 4.0 | 1 | 7.40 |
| CHEMBL1423 | PIMOZIDE | 4.0 | 1 | 7.30 |
| CHEMBL708 | ZIPRASIDONE | 4.0 | 1 | 6.92 |
| CHEMBL6966 | VERAPAMIL | 4.0 | 1 | 6.85 |
| CHEMBL85 | RISPERIDONE | 4.0 | 1 | 6.82 |
| CHEMBL998 | LORATADINE | 4.0 | 1 | 6.77 |
| CHEMBL715 | OLANZAPINE | 4.0 | 1 | 6.74 |
| CHEMBL17157 | TERFENADINE | 4.0 | 1 | 6.70 |
| CHEMBL1107 | HALOFANTRINE | 4.0 | 1 | 6.70 |
| CHEMBL94664 | — | — | 1 | 6.70 |
| CHEMBL96153 | TERIKALANT | 2.0 | 1 | 6.60 |
| CHEMBL1294 | QUINIDINE | 4.0 | 1 | 6.49 |
| CHEMBL42 | CLOZAPINE | 4.0 | 1 | 6.49 |
| CHEMBL1088 | MESORIDAZINE | 4.0 | 1 | 6.49 |
| CHEMBL479 | THIORIDAZINE | 4.0 | 1 | 6.44 |
| CHEMBL94454 | MIZOLASTINE | 4.0 | 1 | 6.36 |
| CHEMBL1008 | BEPRIDIL | 4.0 | 1 | 6.26 |
| CHEMBL46 | ONDANSETRON | 4.0 | 1 | 6.09 |
| CHEMBL17423 | VESNARINONE | 2.0 | 1 | 5.96 |
| CHEMBL72 | DESIPRAMINE | 4.0 | 1 | 5.86 |
| CHEMBL123558 | AZIMILIDE | 3.0 | 1 | 5.85 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL60796 | DESMETHEYLASTEMIZOLE | IC50 | = | 1.0 | nM | 9.00 |
| CHEMBL473 | DOFETILIDE | IC50 | = | 10.0 | nM | 8.00 |
| CHEMBL533 | IBUTILIDE | IC50 | = | 10.0 | nM | 8.00 |
| CHEMBL296419 | ASTEMIZOLE | IC50 | = | 10.0 | nM | 8.00 |
| CHEMBL12713 | SERTINDOLE | IC50 | = | 10.0 | nM | 8.00 |
| CHEMBL327980 | — | IC50 | = | 19.95 | nM | 7.70 |
| CHEMBL61301 | TECASTEMIZOLE | IC50 | = | 28.18 | nM | 7.55 |
| CHEMBL54 | HALOPERIDOL | IC50 | = | 30.2 | nM | 7.52 |
| CHEMBL1108 | DROPERIDOL | IC50 | = | 32.36 | nM | 7.49 |
| CHEMBL1729 | CISAPRIDE | IC50 | = | 39.81 | nM | 7.40 |
| CHEMBL1423 | PIMOZIDE | IC50 | = | 50.12 | nM | 7.30 |
| CHEMBL708 | ZIPRASIDONE | IC50 | = | 120.23 | nM | 6.92 |
| CHEMBL6966 | VERAPAMIL | IC50 | = | 141.25 | nM | 6.85 |
| CHEMBL85 | RISPERIDONE | IC50 | = | 151.36 | nM | 6.82 |
| CHEMBL998 | LORATADINE | IC50 | = | 169.82 | nM | 6.77 |
| CHEMBL715 | OLANZAPINE | IC50 | = | 181.97 | nM | 6.74 |
| CHEMBL17157 | TERFENADINE | IC50 | = | 199.53 | nM | 6.70 |
| CHEMBL1107 | HALOFANTRINE | IC50 | = | 199.53 | nM | 6.70 |
| CHEMBL94664 | — | IC50 | = | 199.53 | nM | 6.70 |
| CHEMBL96153 | TERIKALANT | IC50 | = | 251.19 | nM | 6.60 |
| CHEMBL1294 | QUINIDINE | IC50 | = | 323.59 | nM | 6.49 |
| CHEMBL42 | CLOZAPINE | IC50 | = | 323.59 | nM | 6.49 |
| CHEMBL1088 | MESORIDAZINE | IC50 | = | 323.59 | nM | 6.49 |
| CHEMBL479 | THIORIDAZINE | IC50 | = | 363.08 | nM | 6.44 |
| CHEMBL94454 | MIZOLASTINE | IC50 | = | 436.52 | nM | 6.36 |
| CHEMBL1008 | BEPRIDIL | IC50 | = | 549.54 | nM | 6.26 |
| CHEMBL46 | ONDANSETRON | IC50 | = | 812.83 | nM | 6.09 |
| CHEMBL17423 | VESNARINONE | IC50 | = | 1096.48 | nM | 5.96 |
| CHEMBL72 | DESIPRAMINE | IC50 | = | 1380.38 | nM | 5.86 |
| CHEMBL123558 | AZIMILIDE | IC50 | = | 1412.54 | nM | 5.85 |
| CHEMBL45816 | MIBEFRADIL | IC50 | = | 1445.44 | nM | 5.84 |
| CHEMBL71 | CHLORPROMAZINE | IC50 | = | 1479.11 | nM | 5.83 |
| CHEMBL41 | FLUOXETINE | IC50 | = | 1513.56 | nM | 5.82 |
| CHEMBL157101 | KETOCONAZOLE | IC50 | = | 1905.46 | nM | 5.72 |
| CHEMBL1110 | ALOSETRON | IC50 | = | 3235.94 | nM | 5.49 |
| CHEMBL192 | SILDENAFIL | IC50 | = | 3311.31 | nM | 5.48 |
| CHEMBL11 | IMIPRAMINE | IC50 | = | 3388.44 | nM | 5.47 |
| CHEMBL652 | FLECAINIDE | IC50 | = | 3890.45 | nM | 5.41 |
| CHEMBL549 | CITALOPRAM | IC50 | = | 3981.07 | nM | 5.40 |
| CHEMBL845 | N-DESMETHYLCLOZAPINE | IC50 | = | 4466.84 | nM | 5.35 |
| CHEMBL416956 | MEFLOQUINE | IC50 | = | 5623.41 | nM | 5.25 |
| CHEMBL498572 | MDL-74156 | IC50 | = | 5888.44 | nM | 5.23 |
| CHEMBL370805 | COCAINE | IC50 | = | 7244.36 | nM | 5.14 |
| CHEMBL75880 | PERHEXILINE | IC50 | = | 7762.47 | nM | 5.11 |
| CHEMBL629 | AMITRIPTYLINE | IC50 | = | 10000.0 | nM | 5.00 |
| CHEMBL633 | AMIODARONE | IC50 | = | 10000.0 | nM | 5.00 |
| CHEMBL475534 | NITRENDIPINE | IC50 | = | 10000.0 | nM | 5.00 |
| CHEMBL723 | CARVEDILOL | IC50 | = | 10471.29 | nM | 4.98 |
| CHEMBL2368925 | DOLASETRON | IC50 | = | 12022.64 | nM | 4.92 |
| CHEMBL23 | DILTIAZEM | IC50 | = | 17378.01 | nM | 4.76 |