Assay Detail
Binding
CHEMBL4388643
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Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed as reduction in GroEL/GroES-mediated denatured pig heart mitochondrial MDH refolding by measuring MDH enzyme activity using sodium mesoxalate as substrate after 20 to 40 mins by spectrometric analysis
72
Total Activities
72
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Escherichia coli |
| Confidence | 7 — Homologous single protein target |
| Curated By | Autocuration |
Publication
Dual-targeting GroEL/ES chaperonin and protein tyrosine phosphatase B (PtpB) inhibitors: A polypharmacology strategy for treating Mycobacterium tuberculosis infections.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 72 | 4.49 | 6.64 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL3986320 | — | — | 1 | 6.64 |
| CHEMBL3938421 | — | — | 1 | 6.01 |
| CHEMBL4176281 | — | — | 1 | 5.89 |
| CHEMBL3913878 | — | — | 1 | 5.48 |
| CHEMBL3903813 | — | — | 1 | 5.40 |
| CHEMBL4463085 | — | — | 1 | 5.40 |
| CHEMBL4168415 | — | — | 1 | 5.34 |
| CHEMBL3975456 | — | — | 1 | 5.26 |
| CHEMBL4437169 | — | — | 1 | 5.25 |
| CHEMBL3910488 | — | — | 1 | 5.11 |
| CHEMBL4168023 | — | — | 1 | 5.03 |
| CHEMBL4573394 | — | — | 1 | 4.85 |
| CHEMBL4556062 | — | — | 1 | 4.80 |
| CHEMBL3922861 | — | — | 1 | 4.70 |
| CHEMBL4449221 | — | — | 1 | 4.70 |
| CHEMBL4561738 | — | — | 1 | 4.64 |
| CHEMBL4461900 | — | — | 1 | 4.47 |
| CHEMBL3906378 | — | — | 1 | 4.46 |
| CHEMBL4563828 | — | — | 1 | 4.37 |
| CHEMBL4434992 | — | — | 1 | 4.32 |
| CHEMBL4461747 | — | — | 1 | 4.28 |
| CHEMBL4567343 | — | — | 1 | 4.28 |
| CHEMBL4458229 | — | — | 1 | 4.27 |
| CHEMBL4458221 | — | — | 1 | 4.24 |
| CHEMBL4567660 | — | — | 1 | 4.23 |
| CHEMBL4558646 | — | — | 1 | 4.20 |
| CHEMBL4464897 | — | — | 1 | 4.19 |
| CHEMBL4448007 | — | — | 1 | 4.19 |
| CHEMBL4570232 | — | — | 1 | 4.16 |
| CHEMBL4567422 | — | — | 1 | 4.14 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL3986320 | — | IC50 | = | 230.0 | nM | 6.64 |
| CHEMBL3938421 | — | IC50 | = | 970.0 | nM | 6.01 |
| CHEMBL4176281 | — | IC50 | = | 1300.0 | nM | 5.89 |
| CHEMBL3913878 | — | IC50 | = | 3300.0 | nM | 5.48 |
| CHEMBL3903813 | — | IC50 | = | 4000.0 | nM | 5.40 |
| CHEMBL4463085 | — | IC50 | = | 4000.0 | nM | 5.40 |
| CHEMBL4168415 | — | IC50 | = | 4600.0 | nM | 5.34 |
| CHEMBL3975456 | — | IC50 | = | 5500.0 | nM | 5.26 |
| CHEMBL4437169 | — | IC50 | = | 5600.0 | nM | 5.25 |
| CHEMBL3910488 | — | IC50 | = | 7700.0 | nM | 5.11 |
| CHEMBL4168023 | — | IC50 | = | 9300.0 | nM | 5.03 |
| CHEMBL4573394 | — | IC50 | = | 14000.0 | nM | 4.85 |
| CHEMBL4556062 | — | IC50 | = | 16000.0 | nM | 4.80 |
| CHEMBL4449221 | — | IC50 | = | 20000.0 | nM | 4.70 |
| CHEMBL3922861 | — | IC50 | = | 20000.0 | nM | 4.70 |
| CHEMBL4561738 | — | IC50 | = | 23000.0 | nM | 4.64 |
| CHEMBL4461900 | — | IC50 | = | 34000.0 | nM | 4.47 |
| CHEMBL3906378 | — | IC50 | = | 35000.0 | nM | 4.46 |
| CHEMBL4563828 | — | IC50 | = | 43000.0 | nM | 4.37 |
| CHEMBL4434992 | — | IC50 | = | 48000.0 | nM | 4.32 |
| CHEMBL4461747 | — | IC50 | = | 53000.0 | nM | 4.28 |
| CHEMBL4567343 | — | IC50 | = | 53000.0 | nM | 4.28 |
| CHEMBL4458229 | — | IC50 | = | 54000.0 | nM | 4.27 |
| CHEMBL4458221 | — | IC50 | = | 58000.0 | nM | 4.24 |
| CHEMBL4567660 | — | IC50 | = | 59000.0 | nM | 4.23 |
| CHEMBL4558646 | — | IC50 | = | 63000.0 | nM | 4.20 |
| CHEMBL4448007 | — | IC50 | = | 64000.0 | nM | 4.19 |
| CHEMBL4464897 | — | IC50 | = | 64000.0 | nM | 4.19 |
| CHEMBL4570232 | — | IC50 | = | 70000.0 | nM | 4.16 |
| CHEMBL4567422 | — | IC50 | = | 72000.0 | nM | 4.14 |
| CHEMBL4447680 | — | IC50 | = | 76000.0 | nM | 4.12 |
| CHEMBL4434972 | — | IC50 | = | 76000.0 | nM | 4.12 |
| CHEMBL4462640 | — | IC50 | = | 75000.0 | nM | 4.12 |
| CHEMBL4440273 | — | IC50 | = | 78000.0 | nM | 4.11 |
| CHEMBL4583096 | — | IC50 | = | 77000.0 | nM | 4.11 |
| CHEMBL4513591 | — | IC50 | = | 79000.0 | nM | 4.10 |
| CHEMBL4565368 | — | IC50 | = | 79000.0 | nM | 4.10 |
| CHEMBL4548800 | — | IC50 | = | 81000.0 | nM | 4.09 |
| CHEMBL4469657 | — | IC50 | = | 83000.0 | nM | 4.08 |
| CHEMBL4446756 | — | IC50 | = | 86000.0 | nM | 4.07 |
| CHEMBL4457015 | — | IC50 | = | 85000.0 | nM | 4.07 |
| CHEMBL4559209 | — | IC50 | = | 90000.0 | nM | 4.05 |
| CHEMBL4549691 | — | IC50 | = | 90000.0 | nM | 4.05 |
| CHEMBL4565061 | — | IC50 | = | 92000.0 | nM | 4.04 |
| CHEMBL4471032 | — | IC50 | = | 92000.0 | nM | 4.04 |
| CHEMBL4572554 | — | IC50 | = | 92000.0 | nM | 4.04 |
| CHEMBL4456802 | — | IC50 | = | 91000.0 | nM | 4.04 |
| CHEMBL4454247 | — | IC50 | = | 92000.0 | nM | 4.04 |
| CHEMBL4532359 | — | IC50 | = | 91000.0 | nM | 4.04 |
| CHEMBL4562717 | — | IC50 | = | 93000.0 | nM | 4.03 |