Assay Detail
Binding
CHEMBL3388443
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of human IDH1 R132H mutant expressed in Escherichia coli BL21-CodonPlus assessed as reduction in NADPH consumption
61
Total Activities
61
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Target
Isocitrate dehydrogenase [NADP] cytoplasmic (CHEMBL2007625) ↗| Type | SINGLE PROTEIN |
| Organism | Homo sapiens |
Publication
Inhibition of cancer-associated mutant isocitrate dehydrogenases: synthesis, structure-activity relationship, and selective antitumor activity.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 61 | 5.58 | 6.85 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL3343445 | — | — | 1 | 6.85 |
| CHEMBL3343464 | — | — | 1 | 6.85 |
| CHEMBL3343444 | — | — | 1 | 6.82 |
| CHEMBL2386126 | — | — | 1 | 6.72 |
| CHEMBL3343463 | — | — | 1 | 6.60 |
| CHEMBL3343465 | — | — | 1 | 6.57 |
| CHEMBL2386127 | — | — | 1 | 6.55 |
| CHEMBL3343466 | — | — | 1 | 6.52 |
| CHEMBL3343462 | — | — | 1 | 6.47 |
| CHEMBL3343439 | — | — | 1 | 6.42 |
| CHEMBL3343446 | — | — | 1 | 6.31 |
| CHEMBL3343443 | — | — | 1 | 6.25 |
| CHEMBL3343456 | — | — | 1 | 6.22 |
| CHEMBL3341775 | — | — | 1 | 6.19 |
| CHEMBL3343457 | — | — | 1 | 6.12 |
| CHEMBL3343435 | — | — | 1 | 6.06 |
| CHEMBL3343458 | — | — | 1 | 6.02 |
| CHEMBL3343455 | — | — | 1 | 6.02 |
| CHEMBL3343450 | — | — | 1 | 5.80 |
| CHEMBL3343448 | — | — | 1 | 5.66 |
| CHEMBL3343447 | — | — | 1 | 5.66 |
| CHEMBL3343454 | — | — | 1 | 5.51 |
| CHEMBL3343453 | — | — | 1 | 5.50 |
| CHEMBL3343468 | — | — | 1 | 5.42 |
| CHEMBL3343434 | — | — | 1 | 5.35 |
| CHEMBL3343442 | — | — | 1 | 5.35 |
| CHEMBL3343440 | — | — | 1 | 5.26 |
| CHEMBL3343441 | — | — | 1 | 5.25 |
| CHEMBL2386128 | — | — | 1 | 5.23 |
| CHEMBL2386125 | — | — | 1 | 5.09 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL3343445 | — | Ki | = | 140.0 | nM | 6.85 |
| CHEMBL3343464 | — | Ki | = | 140.0 | nM | 6.85 |
| CHEMBL3343444 | — | Ki | = | 150.0 | nM | 6.82 |
| CHEMBL2386126 | — | Ki | = | 190.0 | nM | 6.72 |
| CHEMBL3343463 | — | Ki | = | 250.0 | nM | 6.60 |
| CHEMBL3343465 | — | Ki | = | 270.0 | nM | 6.57 |
| CHEMBL2386127 | — | Ki | = | 280.0 | nM | 6.55 |
| CHEMBL3343466 | — | Ki | = | 300.0 | nM | 6.52 |
| CHEMBL3343462 | — | Ki | = | 340.0 | nM | 6.47 |
| CHEMBL3343439 | — | Ki | = | 380.0 | nM | 6.42 |
| CHEMBL3343446 | — | Ki | = | 490.0 | nM | 6.31 |
| CHEMBL3343443 | — | Ki | = | 560.0 | nM | 6.25 |
| CHEMBL3343456 | — | Ki | = | 600.0 | nM | 6.22 |
| CHEMBL3341775 | — | Ki | = | 650.0 | nM | 6.19 |
| CHEMBL3343457 | — | Ki | = | 750.0 | nM | 6.12 |
| CHEMBL3343435 | — | Ki | = | 870.0 | nM | 6.06 |
| CHEMBL3343458 | — | Ki | = | 950.0 | nM | 6.02 |
| CHEMBL3343455 | — | Ki | = | 950.0 | nM | 6.02 |
| CHEMBL3343450 | — | Ki | = | 1600.0 | nM | 5.80 |
| CHEMBL3343448 | — | Ki | = | 2200.0 | nM | 5.66 |
| CHEMBL3343447 | — | Ki | = | 2200.0 | nM | 5.66 |
| CHEMBL3343454 | — | Ki | = | 3100.0 | nM | 5.51 |
| CHEMBL3343453 | — | Ki | = | 3200.0 | nM | 5.50 |
| CHEMBL3343468 | — | Ki | = | 3800.0 | nM | 5.42 |
| CHEMBL3343442 | — | Ki | = | 4500.0 | nM | 5.35 |
| CHEMBL3343434 | — | Ki | = | 4500.0 | nM | 5.35 |
| CHEMBL3343440 | — | Ki | = | 5500.0 | nM | 5.26 |
| CHEMBL3343441 | — | Ki | = | 5600.0 | nM | 5.25 |
| CHEMBL2386128 | — | Ki | = | 5900.0 | nM | 5.23 |
| CHEMBL2386125 | — | Ki | = | 8200.0 | nM | 5.09 |
| CHEMBL3343452 | — | Ki | = | 8500.0 | nM | 5.07 |
| CHEMBL3343436 | — | Ki | = | 9500.0 | nM | 5.02 |
| CHEMBL2386129 | — | Ki | = | 9500.0 | nM | 5.02 |
| CHEMBL3343432 | — | Ki | = | 10000.0 | nM | 5.00 |
| CHEMBL3343449 | — | Ki | = | 12500.0 | nM | 4.90 |
| CHEMBL3343438 | — | Ki | = | 13600.0 | nM | 4.87 |
| CHEMBL3343437 | — | Ki | = | 16200.0 | nM | 4.79 |
| CHEMBL3343461 | — | Ki | = | 22500.0 | nM | 4.65 |
| CHEMBL3343433 | — | Ki | = | 27000.0 | nM | 4.57 |
| CHEMBL3343460 | — | Ki | = | 27500.0 | nM | 4.56 |
| CHEMBL571264 | — | Ki | = | 30000.0 | nM | 4.52 |
| CHEMBL291507 | — | Ki | = | 30000.0 | nM | 4.52 |
| CHEMBL3343459 | — | Ki | = | 40500.0 | nM | 4.39 |
| CHEMBL3343426 | — | Ki | = | 46000.0 | nM | 4.34 |
| CHEMBL574580 | 1-HYDROXY-5-PHENYLPYRIDIN-2(1H)-ONE | Ki | = | 50000.0 | nM | 4.30 |
| CHEMBL3343428 | — | Ki | > | 50000.0 | nM | - |
| CHEMBL3343469 | — | Ki | > | 50000.0 | nM | - |
| CHEMBL570807 | — | Ki | > | 50000.0 | nM | - |
| CHEMBL3343467 | — | Ki | > | 50000.0 | nM | - |
| CHEMBL574581 | — | Ki | > | 50000.0 | nM | - |