Assay Detail
ADMET
CHEMBL4339430
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of recombinant human AKR1C2 expressed in Escherichia coli BL21 (D3) using S-tetralol as substrate in presence of NADP+ by UV-spectrophotometric method
53
Total Activities
53
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Target
Aldo-keto reductase family 1 member C2 (CHEMBL5847) ↗| Type | SINGLE PROTEIN |
| Organism | Homo sapiens |
Publication
Potent and Highly Selective Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors Act as Chemotherapeutic Potentiators in Acute Myeloid Leukemia and T-Cell Acute Lymphoblastic Leukemia.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 53 | 4.61 | 5.42 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4439627 | — | — | 1 | 5.42 |
| CHEMBL4518474 | — | — | 1 | 5.33 |
| CHEMBL4442981 | — | — | 1 | 5.24 |
| CHEMBL4459691 | — | — | 1 | 5.22 |
| CHEMBL4457830 | — | — | 1 | 5.16 |
| CHEMBL4470997 | — | — | 1 | 5.14 |
| CHEMBL4452028 | — | — | 1 | 5.12 |
| CHEMBL4581405 | — | — | 1 | 5.11 |
| CHEMBL4581432 | — | — | 1 | 5.09 |
| CHEMBL4561928 | — | — | 1 | 5.00 |
| CHEMBL4458176 | — | — | 1 | 4.85 |
| CHEMBL4532171 | — | — | 1 | 4.85 |
| CHEMBL4453512 | — | — | 1 | 4.85 |
| CHEMBL4441187 | — | — | 1 | 4.85 |
| CHEMBL4543354 | — | — | 1 | 4.80 |
| CHEMBL4470281 | — | — | 1 | 4.80 |
| CHEMBL4591479 | — | — | 1 | 4.80 |
| CHEMBL4442107 | — | — | 1 | 4.75 |
| CHEMBL4472272 | — | — | 1 | 4.68 |
| CHEMBL4457540 | — | — | 1 | 4.64 |
| CHEMBL4526918 | — | — | 1 | 4.64 |
| CHEMBL4454121 | — | — | 1 | 4.60 |
| CHEMBL4568995 | — | — | 1 | 4.58 |
| CHEMBL4587420 | — | — | 1 | 4.54 |
| CHEMBL4468606 | — | — | 1 | 4.52 |
| CHEMBL4459682 | — | — | 1 | 4.52 |
| CHEMBL4582279 | — | — | 1 | 4.47 |
| CHEMBL4574718 | — | — | 1 | 4.43 |
| CHEMBL4473146 | — | — | 1 | 4.42 |
| CHEMBL4441387 | — | — | 1 | 4.41 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4439627 | — | IC50 | = | 3800.0 | nM | 5.42 |
| CHEMBL4518474 | — | IC50 | = | 4700.0 | nM | 5.33 |
| CHEMBL4442981 | — | IC50 | = | 5800.0 | nM | 5.24 |
| CHEMBL4459691 | — | IC50 | = | 6000.0 | nM | 5.22 |
| CHEMBL4457830 | — | IC50 | = | 7000.0 | nM | 5.16 |
| CHEMBL4470997 | — | IC50 | = | 7200.0 | nM | 5.14 |
| CHEMBL4452028 | — | IC50 | = | 7600.0 | nM | 5.12 |
| CHEMBL4581405 | — | IC50 | = | 7800.0 | nM | 5.11 |
| CHEMBL4581432 | — | IC50 | = | 8200.0 | nM | 5.09 |
| CHEMBL4561928 | — | IC50 | = | 10000.0 | nM | 5.00 |
| CHEMBL4441187 | — | IC50 | = | 14000.0 | nM | 4.85 |
| CHEMBL4453512 | — | IC50 | = | 14000.0 | nM | 4.85 |
| CHEMBL4532171 | — | IC50 | = | 14000.0 | nM | 4.85 |
| CHEMBL4458176 | — | IC50 | = | 14000.0 | nM | 4.85 |
| CHEMBL4591479 | — | IC50 | = | 16000.0 | nM | 4.80 |
| CHEMBL4543354 | — | IC50 | = | 16000.0 | nM | 4.80 |
| CHEMBL4470281 | — | IC50 | = | 16000.0 | nM | 4.80 |
| CHEMBL4442107 | — | IC50 | = | 18000.0 | nM | 4.75 |
| CHEMBL4472272 | — | IC50 | = | 21000.0 | nM | 4.68 |
| CHEMBL4457540 | — | IC50 | = | 23000.0 | nM | 4.64 |
| CHEMBL4526918 | — | IC50 | = | 23000.0 | nM | 4.64 |
| CHEMBL4454121 | — | IC50 | = | 25000.0 | nM | 4.60 |
| CHEMBL4568995 | — | IC50 | = | 26000.0 | nM | 4.58 |
| CHEMBL4587420 | — | IC50 | = | 29000.0 | nM | 4.54 |
| CHEMBL4459682 | — | IC50 | = | 30000.0 | nM | 4.52 |
| CHEMBL4468606 | — | IC50 | = | 30000.0 | nM | 4.52 |
| CHEMBL4582279 | — | IC50 | = | 34000.0 | nM | 4.47 |
| CHEMBL4574718 | — | IC50 | = | 37000.0 | nM | 4.43 |
| CHEMBL4473146 | — | IC50 | = | 38000.0 | nM | 4.42 |
| CHEMBL4441387 | — | IC50 | = | 39000.0 | nM | 4.41 |
| CHEMBL4516371 | — | IC50 | = | 39000.0 | nM | 4.41 |
| CHEMBL4551043 | — | IC50 | = | 41000.0 | nM | 4.39 |
| CHEMBL4551710 | — | IC50 | = | 42000.0 | nM | 4.38 |
| CHEMBL4579768 | — | IC50 | = | 44000.0 | nM | 4.36 |
| CHEMBL4537068 | — | IC50 | = | 44000.0 | nM | 4.36 |
| CHEMBL2269701 | — | IC50 | = | 45000.0 | nM | 4.35 |
| CHEMBL4467992 | — | IC50 | = | 45000.0 | nM | 4.35 |
| CHEMBL511708 | BACCHARIN | IC50 | = | 51000.0 | nM | 4.29 |
| CHEMBL4543333 | — | IC50 | = | 57000.0 | nM | 4.24 |
| CHEMBL4590593 | — | IC50 | = | 62000.0 | nM | 4.21 |
| CHEMBL4545749 | — | IC50 | = | 62000.0 | nM | 4.21 |
| CHEMBL4580471 | — | IC50 | = | 67000.0 | nM | 4.17 |
| CHEMBL4467043 | — | IC50 | = | 80000.0 | nM | 4.10 |
| CHEMBL4436438 | — | IC50 | = | 85300.0 | nM | 4.07 |
| CHEMBL4592947 | — | IC50 | = | 87000.0 | nM | 4.06 |
| CHEMBL4577172 | — | IC50 | = | 88000.0 | nM | 4.06 |
| CHEMBL4460107 | — | IC50 | = | 94000.0 | nM | 4.03 |
| CHEMBL464997 | DRUPANIN | IC50 | = | 107000.0 | nM | - |
| CHEMBL4452808 | — | IC50 | = | 109000.0 | nM | - |
| CHEMBL4538670 | — | IC50 | = | 148000.0 | nM | - |