Assay Detail
Binding
CHEMBL839684
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition constant against human intestinal carboxylesterase 2 (hiCE) using nitrophenyl acetate (o-NPA) as substrate
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 | Expert |
Publication
Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 61 | 7.04 | 8.39 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL193140 | — | — | 1 | 8.39 |
| CHEMBL362996 | — | — | 1 | 8.25 |
| CHEMBL191847 | — | — | 1 | 8.10 |
| CHEMBL191822 | — | — | 1 | 8.05 |
| CHEMBL192474 | — | — | 1 | 7.99 |
| CHEMBL189886 | BENZIL | — | 1 | 7.83 |
| CHEMBL192180 | — | — | 1 | 7.74 |
| CHEMBL192241 | — | — | 1 | 7.67 |
| CHEMBL192252 | — | — | 1 | 7.64 |
| CHEMBL193229 | — | — | 1 | 7.63 |
| CHEMBL192589 | — | — | 1 | 7.51 |
| CHEMBL371858 | — | — | 1 | 7.48 |
| CHEMBL192627 | CHLORANIL | — | 1 | 7.24 |
| CHEMBL192625 | — | — | 1 | 7.22 |
| CHEMBL370059 | — | — | 1 | 7.15 |
| CHEMBL191513 | — | — | 1 | 7.15 |
| CHEMBL366205 | — | — | 1 | 7.14 |
| CHEMBL192139 | — | — | 1 | 6.97 |
| CHEMBL435109 | — | — | 1 | 6.86 |
| CHEMBL192410 | — | — | 1 | 6.78 |
| CHEMBL365517 | — | — | 1 | 6.68 |
| CHEMBL193180 | — | — | 1 | 6.59 |
| CHEMBL365392 | — | — | 1 | 6.45 |
| CHEMBL195713 | — | — | 1 | 6.42 |
| CHEMBL191796 | — | — | 1 | 6.40 |
| CHEMBL364729 | — | — | 1 | 6.06 |
| CHEMBL425192 | — | — | 1 | 5.92 |
| CHEMBL365161 | — | — | 1 | 5.87 |
| CHEMBL192039 | — | — | 1 | 5.76 |
| CHEMBL192258 | — | — | 1 | 5.74 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL193140 | — | Ki | = | 4.1 | nM | 8.39 |
| CHEMBL362996 | — | Ki | = | 5.6 | nM | 8.25 |
| CHEMBL191847 | — | Ki | = | 7.9 | nM | 8.10 |
| CHEMBL191822 | — | Ki | = | 8.9 | nM | 8.05 |
| CHEMBL192474 | — | Ki | = | 10.3 | nM | 7.99 |
| CHEMBL189886 | BENZIL | Ki | = | 14.7 | nM | 7.83 |
| CHEMBL192180 | — | Ki | = | 18.2 | nM | 7.74 |
| CHEMBL192241 | — | Ki | = | 21.3 | nM | 7.67 |
| CHEMBL192252 | — | Ki | = | 22.8 | nM | 7.64 |
| CHEMBL193229 | — | Ki | = | 23.4 | nM | 7.63 |
| CHEMBL192589 | — | Ki | = | 30.6 | nM | 7.51 |
| CHEMBL371858 | — | Ki | = | 33.3 | nM | 7.48 |
| CHEMBL192627 | CHLORANIL | Ki | = | 57.4 | nM | 7.24 |
| CHEMBL192625 | — | Ki | = | 60.4 | nM | 7.22 |
| CHEMBL191513 | — | Ki | = | 70.2 | nM | 7.15 |
| CHEMBL370059 | — | Ki | = | 71.5 | nM | 7.15 |
| CHEMBL366205 | — | Ki | = | 72.7 | nM | 7.14 |
| CHEMBL192139 | — | Ki | = | 106.0 | nM | 6.97 |
| CHEMBL435109 | — | Ki | = | 139.0 | nM | 6.86 |
| CHEMBL192410 | — | Ki | = | 167.0 | nM | 6.78 |
| CHEMBL365517 | — | Ki | = | 209.0 | nM | 6.68 |
| CHEMBL193180 | — | Ki | = | 259.0 | nM | 6.59 |
| CHEMBL365392 | — | Ki | = | 353.0 | nM | 6.45 |
| CHEMBL195713 | — | Ki | = | 380.0 | nM | 6.42 |
| CHEMBL191796 | — | Ki | = | 397.0 | nM | 6.40 |
| CHEMBL364729 | — | Ki | = | 875.0 | nM | 6.06 |
| CHEMBL425192 | — | Ki | = | 1200.0 | nM | 5.92 |
| CHEMBL365161 | — | Ki | = | 1350.0 | nM | 5.87 |
| CHEMBL192039 | — | Ki | = | 1730.0 | nM | 5.76 |
| CHEMBL192258 | — | Ki | = | 1840.0 | nM | 5.74 |
| CHEMBL190677 | BENZOIN | Ki | = | 2220.0 | nM | 5.65 |
| CHEMBL193228 | — | Ki | > | 100000.0 | nM | - |
| CHEMBL191625 | — | Ki | > | 100000.0 | nM | - |
| CHEMBL192809 | 2,3-PENTANEDIONE | Ki | > | 100000.0 | nM | - |
| CHEMBL364734 | — | Ki | > | 100000.0 | nM | - |
| CHEMBL363855 | — | Ki | > | 100000.0 | nM | - |
| CHEMBL192648 | — | Ki | > | 100000.0 | nM | - |
| CHEMBL192595 | — | Ki | > | 100000.0 | nM | - |
| CHEMBL370299 | — | Ki | > | 100000.0 | nM | - |
| CHEMBL365982 | — | Ki | > | 100000.0 | nM | - |
| CHEMBL371523 | DIBENZOYLMETHANE | Ki | > | 100000.0 | nM | - |
| CHEMBL90039 | BENZOPHENONE | Ki | > | 100000.0 | nM | - |
| CHEMBL365809 | BUTANEDIONE | Ki | > | 100000.0 | nM | - |
| CHEMBL371371 | — | Ki | > | 100000.0 | nM | - |
| CHEMBL192657 | — | Ki | > | 100000.0 | nM | - |
| CHEMBL191676 | — | Ki | > | 100000.0 | nM | - |
| CHEMBL191739 | — | Ki | > | 100000.0 | nM | - |
| CHEMBL189988 | BENZYLSULFONYLBENZENE | Ki | > | 100000.0 | nM | - |
| CHEMBL372856 | — | Ki | > | 100000.0 | nM | - |
| CHEMBL190496 | — | Ki | > | 100000.0 | nM | - |