Assay Detail
Binding
CHEMBL841787
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Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells
122
Total Activities
118
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Cell Type | Caco-2 |
| Confidence | 9 — Direct single protein target |
| Curated By | Expert |
Publication
Three-dimensional quantitative structure-activity relationship analyses of beta-lactam antibiotics and tripeptides as substrates of the mammalian H+/peptide cotransporter PEPT1.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 122 | 4.18 | 5.00 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL190869 | — | — | 1 | 5.00 |
| CHEMBL2371834 | — | — | 1 | 4.70 |
| CHEMBL8486 | MDL-28170 | — | 1 | 4.30 |
| CHEMBL2371146 | — | — | 1 | 4.22 |
| CHEMBL190327 | — | — | 1 | 4.05 |
| CHEMBL316103 | — | — | 1 | 4.05 |
| CHEMBL191493 | — | — | 1 | 4.05 |
| CHEMBL190728 | — | — | 1 | 4.05 |
| CHEMBL189273 | — | — | 1 | 4.05 |
| CHEMBL190414 | — | — | 1 | 4.00 |
| CHEMBL191472 | — | — | 1 | 4.00 |
| CHEMBL90069 | — | — | 1 | 4.00 |
| CHEMBL190272 | — | — | 2 | 4.00 |
| CHEMBL361278 | — | — | 1 | 4.00 |
| CHEMBL364928 | — | — | 1 | - |
| CHEMBL188747 | — | — | 1 | - |
| CHEMBL363341 | — | — | 1 | - |
| CHEMBL371579 | — | — | 1 | - |
| CHEMBL189210 | — | — | 1 | - |
| CHEMBL189368 | — | — | 1 | - |
| CHEMBL434535 | — | — | 1 | - |
| CHEMBL427343 | — | — | 1 | - |
| CHEMBL189887 | — | — | 1 | - |
| CHEMBL447844 | — | — | 1 | - |
| CHEMBL190179 | — | — | 1 | - |
| CHEMBL55868 | — | — | 1 | - |
| CHEMBL429950 | — | — | 1 | - |
| CHEMBL188159 | — | — | 1 | - |
| CHEMBL190897 | — | — | 1 | - |
| CHEMBL187898 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL190869 | — | Ki | = | 10000.0 | nM | 5.00 |
| CHEMBL2371834 | — | Ki | = | 20000.0 | nM | 4.70 |
| CHEMBL8486 | MDL-28170 | Ki | = | 50000.0 | nM | 4.30 |
| CHEMBL2371146 | — | Ki | = | 60000.0 | nM | 4.22 |
| CHEMBL190327 | — | Ki | = | 90000.0 | nM | 4.05 |
| CHEMBL316103 | — | Ki | = | 90000.0 | nM | 4.05 |
| CHEMBL191493 | — | Ki | = | 90000.0 | nM | 4.05 |
| CHEMBL190728 | — | Ki | = | 90000.0 | nM | 4.05 |
| CHEMBL189273 | — | Ki | = | 90000.0 | nM | 4.05 |
| CHEMBL190414 | — | Ki | = | 100000.0 | nM | 4.00 |
| CHEMBL191472 | — | Ki | = | 100000.0 | nM | 4.00 |
| CHEMBL90069 | — | Ki | = | 100000.0 | nM | 4.00 |
| CHEMBL190272 | — | Ki | = | 100000.0 | nM | 4.00 |
| CHEMBL361278 | — | Ki | = | 100000.0 | nM | 4.00 |
| CHEMBL1644 | CEFADROXIL | Ki | = | 7200000.0 | nM | - |
| CHEMBL190704 | — | Ki | = | 9800000.0 | nM | - |
| CHEMBL893 | DICLOXACILLIN | Ki | = | 7200000.0 | nM | - |
| CHEMBL1146 | CEFAMANDOLE | Ki | = | 8100000.0 | nM | - |
| CHEMBL1604 | CEPHRADINE | Ki | = | 9800000.0 | nM | - |
| CHEMBL996 | CEFOXITIN | Ki | = | 10000000.0 | nM | - |
| CHEMBL680 | CEFACLOR ANHYDROUS | Ki | > | 10000000.0 | nM | - |
| CHEMBL74632 | MOXALACTAM | Ki | = | 12000000.0 | nM | - |
| CHEMBL819 | OXACILLIN | Ki | = | 12000000.0 | nM | - |
| CHEMBL1908324 | METAMPICILLIN | Ki | = | 13000000.0 | nM | - |
| CHEMBL2371839 | — | Ki | = | 250000.0 | nM | - |
| CHEMBL17697 | — | Ki | = | 140000.0 | nM | - |
| CHEMBL192867 | — | Ki | = | 140000.0 | nM | - |
| CHEMBL190933 | — | Ki | = | 140000.0 | nM | - |
| CHEMBL188505 | — | Ki | = | 150000.0 | nM | - |
| CHEMBL188866 | — | Ki | = | 160000.0 | nM | - |
| CHEMBL191057 | — | Ki | = | 210000.0 | nM | - |
| CHEMBL190272 | — | Ki | = | 520000.0 | nM | - |
| CHEMBL299420 | — | Ki | > | 30000000.0 | nM | - |
| CHEMBL361880 | — | Ki | = | 17000000.0 | nM | - |
| CHEMBL327608 | — | Ki | = | 15000000.0 | nM | - |
| CHEMBL2371837 | — | Ki | = | 19000000.0 | nM | - |
| CHEMBL190027 | — | Ki | = | 20000000.0 | nM | - |
| CHEMBL1222388 | — | Ki | = | 25000000.0 | nM | - |
| CHEMBL2096813 | — | Ki | > | 30000000.0 | nM | - |
| CHEMBL365196 | — | Ki | > | 30000000.0 | nM | - |
| CHEMBL190049 | — | Ki | > | 30000000.0 | nM | - |
| CHEMBL891 | CLOXACILLIN | Ki | = | 2500000.0 | nM | - |
| CHEMBL1605 | CEFTIBUTEN | Ki | = | 340000.0 | nM | - |
| CHEMBL1541 | CEFIXIME | Ki | = | 12000000.0 | nM | - |
| CHEMBL2303613 | CEFODIZIME | Ki | = | 22000000.0 | nM | - |
| CHEMBL161 | CEFTRIAXONE | Ki | > | 30000000.0 | nM | - |
| CHEMBL65794 | CEFPIROME | Ki | > | 30000000.0 | nM | - |
| CHEMBL1730 | CEFOTAXIME | Ki | > | 30000000.0 | nM | - |
| CHEMBL186 | CEFEPIME | Ki | > | 30000000.0 | nM | - |
| CHEMBL1200356 | CYCLACILLIN | Ki | = | 500000.0 | nM | - |