Assay Detail
Binding
CHEMBL3887161
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Discontinuous Radiometric Assay: Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in E. coli. In each case, a discontinuous radiometric assay may be used to monitor the inhibition of progesterone reduction (20-ketosteroid reduction) catalyzed by AKR1C1, the inhibition of Δ4-AD reduction (17-ketosteroid reduction) catalyzed by AKR1C3, and the inhibition of 5α-DHT reduction (3-ketosteroid reduction) catalyzed by AKR1C2 and AKR1C4 (by measuring the formation of 20α-hydroxyprogesterone, testosterone or 3α-androstanediol by radiochromatography). Secondary screens of the compounds of interest include: (a) a full-screen against all nine human recombinant AKR enzymes to ensure there are no-intended off-target effects (in this context AKR1B10 (retinal reductase; SEQ ID NO:5) has been shown to be potently inhibited by N-phenylanthranilates) (Endo et al., 2010, Biol. Pharm. Bull. 33:886-90); (b) a screen against COX-1 and COX-2 to reaffirm that compounds do not act as NSAIDs; and (c) an expanded screen against other nuclear receptors (especially other steroid hormone receptors).
10
Total Activities
10
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Confidence | 8 — Homologous single protein target |
| Curated By | Autocuration |
Target
Aldo-keto reductase family 1 member C4 (CHEMBL4999) ↗| Type | SINGLE PROTEIN |
| Organism | Homo sapiens |
Publication
Bifunctional AKR1C3 inhibitors/androgen receptor modulators and methods of use thereof
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 10 | 4.56 | 5.26 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL3899044 | — | — | 1 | 5.26 |
| CHEMBL3950016 | — | — | 1 | 5.09 |
| CHEMBL3945188 | — | — | 1 | 4.69 |
| CHEMBL1682201 | — | — | 1 | 4.59 |
| CHEMBL3973623 | — | — | 1 | 4.54 |
| CHEMBL1682200 | — | — | 1 | 4.49 |
| CHEMBL1682205 | — | — | 1 | 4.41 |
| CHEMBL1682203 | — | — | 1 | 4.31 |
| CHEMBL1682202 | — | — | 1 | 4.20 |
| CHEMBL1682204 | — | — | 1 | 4.04 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL3899044 | — | IC50 | = | 5500.0 | nM | 5.26 |
| CHEMBL3950016 | — | IC50 | = | 8170.0 | nM | 5.09 |
| CHEMBL3945188 | — | IC50 | = | 20400.0 | nM | 4.69 |
| CHEMBL1682201 | — | IC50 | = | 25700.0 | nM | 4.59 |
| CHEMBL3973623 | — | IC50 | = | 28700.0 | nM | 4.54 |
| CHEMBL1682200 | — | IC50 | = | 32700.0 | nM | 4.49 |
| CHEMBL1682205 | — | IC50 | = | 39100.0 | nM | 4.41 |
| CHEMBL1682203 | — | IC50 | = | 48700.0 | nM | 4.31 |
| CHEMBL1682202 | — | IC50 | = | 62700.0 | nM | 4.20 |
| CHEMBL1682204 | — | IC50 | = | 91400.0 | nM | 4.04 |