Assay Detail
Binding
CHEMBL4390738
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of recombinant human N-terminal His-tagged PDI expressed in Escherichia coli BL21 (DE3) pLysS assessed as reduction in enzyme-mediated bovine insulin aggregation
72
Total Activities
72
Compounds Tested
2
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Design, Synthesis, and Biological Evaluation of Novel Allosteric Protein Disulfide Isomerase Inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 69 | 5.79 | 6.92 |
| Inhibition | 3 | - | - |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4483086 | — | — | 1 | 6.92 |
| CHEMBL4472710 | — | — | 1 | 6.89 |
| CHEMBL4459949 | — | — | 1 | 6.80 |
| CHEMBL4446669 | — | — | 1 | 6.68 |
| CHEMBL4550951 | — | — | 1 | 6.68 |
| CHEMBL4472807 | — | — | 1 | 6.64 |
| CHEMBL4464788 | — | — | 1 | 6.46 |
| CHEMBL4567542 | — | — | 1 | 6.40 |
| CHEMBL4520508 | — | — | 1 | 6.40 |
| CHEMBL4520670 | — | — | 1 | 6.31 |
| CHEMBL4459634 | — | — | 1 | 6.13 |
| CHEMBL4470548 | — | — | 1 | 6.09 |
| CHEMBL4447323 | — | — | 1 | 6.09 |
| CHEMBL4513992 | — | — | 1 | 6.08 |
| CHEMBL4545330 | — | — | 1 | 6.07 |
| CHEMBL4560739 | — | — | 1 | 5.98 |
| CHEMBL4537633 | — | — | 1 | 5.96 |
| CHEMBL4460678 | — | — | 1 | 5.96 |
| CHEMBL4449607 | — | — | 1 | 5.94 |
| CHEMBL4519381 | — | — | 1 | 5.94 |
| CHEMBL4572589 | — | — | 1 | 5.91 |
| CHEMBL4438947 | — | — | 1 | 5.90 |
| CHEMBL4577143 | — | — | 1 | 5.89 |
| CHEMBL4584988 | — | — | 1 | 5.87 |
| CHEMBL4078794 | — | — | 1 | 5.81 |
| CHEMBL4567946 | — | — | 1 | 5.78 |
| CHEMBL3613158 | — | — | 1 | 5.78 |
| CHEMBL268559 | — | — | 1 | 5.76 |
| CHEMBL4524387 | — | — | 1 | 5.76 |
| CHEMBL4436420 | — | — | 1 | 5.75 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4483086 | — | IC50 | = | 120.0 | nM | 6.92 |
| CHEMBL4472710 | — | IC50 | = | 130.0 | nM | 6.89 |
| CHEMBL4459949 | — | IC50 | = | 160.0 | nM | 6.80 |
| CHEMBL4446669 | — | IC50 | = | 210.0 | nM | 6.68 |
| CHEMBL4550951 | — | IC50 | = | 210.0 | nM | 6.68 |
| CHEMBL4472807 | — | IC50 | = | 230.0 | nM | 6.64 |
| CHEMBL4464788 | — | IC50 | = | 350.0 | nM | 6.46 |
| CHEMBL4567542 | — | IC50 | = | 400.0 | nM | 6.40 |
| CHEMBL4520508 | — | IC50 | = | 400.0 | nM | 6.40 |
| CHEMBL4520670 | — | IC50 | = | 490.0 | nM | 6.31 |
| CHEMBL4459634 | — | IC50 | = | 740.0 | nM | 6.13 |
| CHEMBL4470548 | — | IC50 | = | 810.0 | nM | 6.09 |
| CHEMBL4447323 | — | IC50 | = | 820.0 | nM | 6.09 |
| CHEMBL4513992 | — | IC50 | = | 830.0 | nM | 6.08 |
| CHEMBL4545330 | — | IC50 | = | 850.0 | nM | 6.07 |
| CHEMBL4560739 | — | IC50 | = | 1050.0 | nM | 5.98 |
| CHEMBL4537633 | — | IC50 | = | 1110.0 | nM | 5.96 |
| CHEMBL4460678 | — | IC50 | = | 1110.0 | nM | 5.96 |
| CHEMBL4449607 | — | IC50 | = | 1140.0 | nM | 5.94 |
| CHEMBL4519381 | — | IC50 | = | 1150.0 | nM | 5.94 |
| CHEMBL4572589 | — | IC50 | = | 1230.0 | nM | 5.91 |
| CHEMBL4438947 | — | IC50 | = | 1250.0 | nM | 5.90 |
| CHEMBL4577143 | — | IC50 | = | 1290.0 | nM | 5.89 |
| CHEMBL4584988 | — | IC50 | = | 1340.0 | nM | 5.87 |
| CHEMBL4078794 | — | IC50 | = | 1560.0 | nM | 5.81 |
| CHEMBL4567946 | — | IC50 | = | 1660.0 | nM | 5.78 |
| CHEMBL3613158 | — | IC50 | = | 1670.0 | nM | 5.78 |
| CHEMBL268559 | — | IC50 | = | 1740.0 | nM | 5.76 |
| CHEMBL4524387 | — | IC50 | = | 1750.0 | nM | 5.76 |
| CHEMBL4436420 | — | IC50 | = | 1800.0 | nM | 5.75 |
| CHEMBL4564932 | — | IC50 | = | 1830.0 | nM | 5.74 |
| CHEMBL4549234 | — | IC50 | = | 1870.0 | nM | 5.73 |
| CHEMBL4470723 | — | IC50 | = | 2000.0 | nM | 5.70 |
| CHEMBL4513644 | — | IC50 | = | 2200.0 | nM | 5.66 |
| CHEMBL4450171 | — | IC50 | = | 2370.0 | nM | 5.62 |
| CHEMBL8015 | — | IC50 | = | 2560.0 | nM | 5.59 |
| CHEMBL4471368 | — | IC50 | = | 2720.0 | nM | 5.57 |
| CHEMBL4441267 | — | IC50 | = | 4000.0 | nM | 5.40 |
| CHEMBL4570604 | — | IC50 | = | 4090.0 | nM | 5.39 |
| CHEMBL4550996 | — | IC50 | = | 5740.0 | nM | 5.24 |
| CHEMBL4539337 | — | IC50 | = | 6230.0 | nM | 5.21 |
| CHEMBL4443214 | — | IC50 | = | 6640.0 | nM | 5.18 |
| CHEMBL2012159 | — | IC50 | = | 8130.0 | nM | 5.09 |
| CHEMBL4464555 | — | IC50 | = | 8510.0 | nM | 5.07 |
| CHEMBL4463232 | — | IC50 | = | 9100.0 | nM | 5.04 |
| CHEMBL4519787 | — | IC50 | = | 9570.0 | nM | 5.02 |
| CHEMBL4470003 | — | IC50 | = | 10190.0 | nM | 4.99 |
| CHEMBL4542919 | — | IC50 | = | 10790.0 | nM | 4.97 |
| CHEMBL4453943 | — | IC50 | = | 10930.0 | nM | 4.96 |
| CHEMBL4461443 | — | IC50 | = | 11130.0 | nM | 4.95 |