Assay Detail
Binding
CHEMBL1670272
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Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis
31
Total Activities
31
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 |
Publication
Identification of curcumin derivatives as human glyoxalase I inhibitors: A combination of biological evaluation, molecular docking, 3D-QSAR and molecular dynamics simulation studies.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 31 | 4.78 | 5.58 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL1669728 | — | — | 1 | 5.58 |
| CHEMBL1669729 | — | — | 1 | 5.50 |
| CHEMBL428441 | — | — | 1 | 5.44 |
| CHEMBL1669730 | — | — | 1 | 5.44 |
| CHEMBL1669724 | — | — | 1 | 5.34 |
| CHEMBL1669727 | — | — | 1 | 5.34 |
| CHEMBL140 | CURCUMIN | 3.0 | 1 | 5.00 |
| CHEMBL105350 | BISDEMETHOXYCURCUMIN | — | 1 | 4.75 |
| CHEMBL211496 | — | — | 1 | 4.75 |
| CHEMBL6 | INDOMETHACIN | 4.0 | 1 | 4.62 |
| CHEMBL1669734 | — | — | 1 | 4.57 |
| CHEMBL1669725 | — | — | 1 | 4.54 |
| CHEMBL1669738 | — | — | 1 | 4.41 |
| CHEMBL189171 | ACEMETACIN | 2.0 | 1 | 4.31 |
| CHEMBL1669737 | — | — | 1 | 4.19 |
| CHEMBL488901 | — | — | 1 | 4.13 |
| CHEMBL211958 | — | — | 1 | 4.05 |
| CHEMBL1669733 | — | — | 1 | 4.04 |
| CHEMBL1669739 | — | — | 1 | - |
| CHEMBL1297 | FENOPROFEN | 4.0 | 1 | - |
| CHEMBL571 | KETOPROFEN | 4.0 | 1 | - |
| CHEMBL19490 | ZOMEPIRAC | 4.0 | 1 | - |
| CHEMBL1020 | TOLMETIN | 4.0 | 1 | - |
| CHEMBL15770 | SULINDAC | 4.0 | 1 | - |
| CHEMBL286796 | ETHYL FERULATE | — | 1 | - |
| CHEMBL1669731 | — | — | 1 | - |
| CHEMBL1669711 | — | — | 1 | - |
| CHEMBL1669736 | — | — | 1 | - |
| CHEMBL1669735 | — | — | 1 | - |
| CHEMBL1669732 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL1669728 | — | Ki | = | 2600.0 | nM | 5.58 |
| CHEMBL1669729 | — | Ki | = | 3200.0 | nM | 5.50 |
| CHEMBL428441 | — | Ki | = | 3600.0 | nM | 5.44 |
| CHEMBL1669730 | — | Ki | = | 3600.0 | nM | 5.44 |
| CHEMBL1669724 | — | Ki | = | 4600.0 | nM | 5.34 |
| CHEMBL1669727 | — | Ki | = | 4600.0 | nM | 5.34 |
| CHEMBL140 | CURCUMIN | Ki | = | 10000.0 | nM | 5.00 |
| CHEMBL105350 | BISDEMETHOXYCURCUMIN | Ki | = | 18000.0 | nM | 4.75 |
| CHEMBL211496 | — | Ki | = | 18000.0 | nM | 4.75 |
| CHEMBL6 | INDOMETHACIN | Ki | = | 24000.0 | nM | 4.62 |
| CHEMBL1669734 | — | Ki | = | 27000.0 | nM | 4.57 |
| CHEMBL1669725 | — | Ki | = | 29000.0 | nM | 4.54 |
| CHEMBL1669738 | — | Ki | = | 39000.0 | nM | 4.41 |
| CHEMBL189171 | ACEMETACIN | Ki | = | 49000.0 | nM | 4.31 |
| CHEMBL1669737 | — | Ki | = | 65000.0 | nM | 4.19 |
| CHEMBL488901 | — | Ki | = | 74000.0 | nM | 4.13 |
| CHEMBL211958 | — | Ki | = | 90000.0 | nM | 4.05 |
| CHEMBL1669733 | — | Ki | = | 91000.0 | nM | 4.04 |
| CHEMBL1669739 | — | Ki | = | 1394000.0 | nM | - |
| CHEMBL1297 | FENOPROFEN | Ki | = | 383000.0 | nM | - |
| CHEMBL571 | KETOPROFEN | Ki | = | 843000.0 | nM | - |
| CHEMBL19490 | ZOMEPIRAC | Ki | = | 335000.0 | nM | - |
| CHEMBL1020 | TOLMETIN | Ki | = | 1014000.0 | nM | - |
| CHEMBL15770 | SULINDAC | Ki | = | 139000.0 | nM | - |
| CHEMBL286796 | ETHYL FERULATE | Ki | = | 385000.0 | nM | - |
| CHEMBL1669731 | — | Ki | = | 109000.0 | nM | - |
| CHEMBL1669711 | — | Ki | = | 1907000.0 | nM | - |
| CHEMBL1669736 | — | Ki | = | 159000.0 | nM | - |
| CHEMBL1669735 | — | Ki | = | 426000.0 | nM | - |
| CHEMBL1669732 | — | Ki | = | 383000.0 | nM | - |
| CHEMBL454667 | — | Ki | = | 1500000.0 | nM | - |