Assay Detail
Binding
CHEMBL858763
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Binding affinity to dopamine transporter (DAT) using [3H]WIN-35428 as a radioligand
70
Total Activities
70
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Confidence | 8 — Homologous single protein target |
| Curated By | Expert |
Target
Sodium-dependent dopamine transporter (CHEMBL338) ↗| Type | SINGLE PROTEIN |
| Organism | Rattus norvegicus |
Publication
2D QSAR modeling and preliminary database searching for dopamine transporter inhibitors using genetic algorithm variable selection of Molconn Z descriptors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 70 | 6.98 | 8.70 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL610897 | — | — | 1 | 8.70 |
| CHEMBL311347 | — | — | 1 | 8.68 |
| CHEMBL82946 | — | — | 1 | 8.40 |
| CHEMBL312037 | — | — | 1 | 8.30 |
| CHEMBL287257 | DICLOFENSINE | 2.0 | 1 | 8.15 |
| CHEMBL1201203 | BENZTROPINE | 4.0 | 1 | 8.10 |
| CHEMBL296602 | INDATRALINE | 2.0 | 1 | 8.10 |
| CHEMBL279556 | — | — | 1 | 8.00 |
| CHEMBL423162 | — | — | 1 | 7.96 |
| CHEMBL317757 | DIFLUOROBENZTROPINE | — | 1 | 7.93 |
| CHEMBL281594 | VANOXERINE | 3.0 | 1 | 7.92 |
| CHEMBL26320 | — | — | 1 | 7.89 |
| CHEMBL132241 | — | — | 1 | 7.80 |
| CHEMBL134214 | — | — | 1 | 7.79 |
| CHEMBL341431 | — | — | 1 | 7.79 |
| CHEMBL3084896 | — | — | 1 | 7.72 |
| CHEMBL132730 | — | — | 1 | 7.70 |
| CHEMBL3084884 | — | — | 1 | 7.70 |
| CHEMBL3084892 | — | — | 1 | 7.67 |
| CHEMBL133282 | — | — | 1 | 7.66 |
| CHEMBL3084870 | — | — | 1 | 7.66 |
| CHEMBL2079586 | — | — | 1 | 7.66 |
| CHEMBL133697 | — | — | 1 | 7.64 |
| CHEMBL3084906 | — | — | 1 | 7.63 |
| CHEMBL3084908 | — | — | 1 | 7.55 |
| CHEMBL131957 | — | — | 1 | 7.55 |
| CHEMBL133422 | — | — | 1 | 7.52 |
| CHEMBL310310 | — | — | 1 | 7.52 |
| CHEMBL3084883 | — | — | 1 | 7.49 |
| CHEMBL3084882 | — | — | 1 | 7.42 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL610897 | — | Ki | = | 1.995 | nM | 8.70 |
| CHEMBL311347 | — | Ki | = | 2.089 | nM | 8.68 |
| CHEMBL82946 | — | Ki | = | 3.981 | nM | 8.40 |
| CHEMBL312037 | — | Ki | = | 5.012 | nM | 8.30 |
| CHEMBL287257 | DICLOFENSINE | Ki | = | 7.079 | nM | 8.15 |
| CHEMBL1201203 | BENZTROPINE | Ki | = | 7.943 | nM | 8.10 |
| CHEMBL296602 | INDATRALINE | Ki | = | 7.943 | nM | 8.10 |
| CHEMBL279556 | — | Ki | = | 10.0 | nM | 8.00 |
| CHEMBL423162 | — | Ki | = | 10.96 | nM | 7.96 |
| CHEMBL317757 | DIFLUOROBENZTROPINE | Ki | = | 11.75 | nM | 7.93 |
| CHEMBL281594 | VANOXERINE | Ki | = | 12.02 | nM | 7.92 |
| CHEMBL26320 | — | Ki | = | 12.88 | nM | 7.89 |
| CHEMBL132241 | — | Ki | = | 15.85 | nM | 7.80 |
| CHEMBL134214 | — | Ki | = | 16.22 | nM | 7.79 |
| CHEMBL341431 | — | Ki | = | 16.22 | nM | 7.79 |
| CHEMBL3084896 | — | Ki | = | 19.05 | nM | 7.72 |
| CHEMBL132730 | — | Ki | = | 19.95 | nM | 7.70 |
| CHEMBL3084884 | — | Ki | = | 19.95 | nM | 7.70 |
| CHEMBL3084892 | — | Ki | = | 21.38 | nM | 7.67 |
| CHEMBL133282 | — | Ki | = | 21.88 | nM | 7.66 |
| CHEMBL3084870 | — | Ki | = | 21.88 | nM | 7.66 |
| CHEMBL2079586 | — | Ki | = | 21.88 | nM | 7.66 |
| CHEMBL133697 | — | Ki | = | 22.91 | nM | 7.64 |
| CHEMBL3084906 | — | Ki | = | 23.44 | nM | 7.63 |
| CHEMBL131957 | — | Ki | = | 28.18 | nM | 7.55 |
| CHEMBL3084908 | — | Ki | = | 28.18 | nM | 7.55 |
| CHEMBL133422 | — | Ki | = | 30.2 | nM | 7.52 |
| CHEMBL310310 | — | Ki | = | 30.2 | nM | 7.52 |
| CHEMBL3084883 | — | Ki | = | 32.36 | nM | 7.49 |
| CHEMBL3084882 | — | Ki | = | 38.02 | nM | 7.42 |
| CHEMBL273575 | NOMIFENSINE | Ki | = | 42.66 | nM | 7.37 |
| CHEMBL3084909 | — | Ki | = | 47.86 | nM | 7.32 |
| CHEMBL3084869 | — | Ki | = | 50.12 | nM | 7.30 |
| CHEMBL3084907 | — | Ki | = | 69.18 | nM | 7.16 |
| CHEMBL3084880 | — | Ki | = | 79.43 | nM | 7.10 |
| CHEMBL288524 | — | Ki | = | 83.18 | nM | 7.08 |
| CHEMBL83729 | — | Ki | = | 87.1 | nM | 7.06 |
| CHEMBL339395 | — | Ki | = | 91.2 | nM | 7.04 |
| CHEMBL3084897 | — | Ki | = | 91.2 | nM | 7.04 |
| CHEMBL275707 | RIMCAZOLE | Ki | = | 104.71 | nM | 6.98 |
| CHEMBL335390 | — | Ki | = | 186.21 | nM | 6.73 |
| CHEMBL3084881 | — | Ki | = | 186.21 | nM | 6.73 |
| CHEMBL133735 | — | Ki | = | 190.55 | nM | 6.72 |
| CHEMBL3084901 | — | Ki | = | 190.55 | nM | 6.72 |
| CHEMBL3084900 | — | Ki | = | 194.98 | nM | 6.71 |
| CHEMBL132958 | — | Ki | = | 213.8 | nM | 6.67 |
| CHEMBL3084910 | — | Ki | = | 229.09 | nM | 6.64 |
| CHEMBL3084872 | — | Ki | = | 295.12 | nM | 6.53 |
| CHEMBL3084878 | — | Ki | = | 309.03 | nM | 6.51 |
| CHEMBL336300 | — | Ki | = | 309.03 | nM | 6.51 |