Assay Detail
Binding
CHEMBL4156514
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Binding affinity to recombinant N-terminal His6-tagged human carbonic anhydrase 6 (21 to 290 residues) expressed in Escherichia coli Rosetta 2 (DE3) strain assessed as intrinsic Kd in presence of ANS by fluorescent thermal shift assay
29
Total Activities
29
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
Design of two-tail compounds with rotationally fixed benzenesulfonamide ring as inhibitors of carbonic anhydrases.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Kd | 29 | 8.78 | 9.72 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4176862 | — | — | 1 | 9.72 |
| CHEMBL4165570 | — | — | 1 | 9.70 |
| CHEMBL4160149 | — | — | 1 | 9.57 |
| CHEMBL4166643 | — | — | 1 | 9.49 |
| CHEMBL4168966 | — | — | 1 | 9.42 |
| CHEMBL4170371 | — | — | 1 | 9.40 |
| CHEMBL4175740 | — | — | 1 | 9.15 |
| CHEMBL4170792 | — | — | 1 | 9.14 |
| CHEMBL4172331 | — | — | 1 | 9.05 |
| CHEMBL4166964 | — | — | 1 | 9.03 |
| CHEMBL120886 | — | — | 1 | 8.96 |
| CHEMBL4168997 | — | — | 1 | 8.96 |
| CHEMBL4163518 | — | — | 1 | 8.92 |
| CHEMBL4173471 | — | — | 1 | 8.85 |
| CHEMBL4165896 | — | — | 1 | 8.80 |
| CHEMBL4168586 | — | — | 1 | 8.77 |
| CHEMBL4162451 | — | — | 1 | 8.74 |
| CHEMBL4162133 | — | — | 1 | 8.70 |
| CHEMBL4173501 | — | — | 1 | 8.70 |
| CHEMBL4173814 | — | — | 1 | 8.64 |
| CHEMBL4160627 | — | — | 1 | 8.55 |
| CHEMBL4174214 | — | — | 1 | 8.52 |
| CHEMBL4165127 | — | — | 1 | 8.46 |
| CHEMBL4159066 | — | — | 1 | 8.44 |
| CHEMBL4165543 | — | — | 1 | 8.44 |
| CHEMBL4176828 | — | — | 1 | 8.22 |
| CHEMBL4177268 | — | — | 1 | 7.44 |
| CHEMBL4170058 | — | — | 1 | 7.44 |
| CHEMBL4161701 | — | — | 1 | 7.44 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4176862 | — | Kd | = | 0.19 | nM | 9.72 |
| CHEMBL4165570 | — | Kd | = | 0.2 | nM | 9.70 |
| CHEMBL4160149 | — | Kd | = | 0.27 | nM | 9.57 |
| CHEMBL4166643 | — | Kd | = | 0.32 | nM | 9.49 |
| CHEMBL4168966 | — | Kd | = | 0.38 | nM | 9.42 |
| CHEMBL4170371 | — | Kd | = | 0.4 | nM | 9.40 |
| CHEMBL4175740 | — | Kd | = | 0.71 | nM | 9.15 |
| CHEMBL4170792 | — | Kd | = | 0.72 | nM | 9.14 |
| CHEMBL4172331 | — | Kd | = | 0.89 | nM | 9.05 |
| CHEMBL4166964 | — | Kd | = | 0.93 | nM | 9.03 |
| CHEMBL120886 | — | Kd | = | 1.1 | nM | 8.96 |
| CHEMBL4168997 | — | Kd | = | 1.1 | nM | 8.96 |
| CHEMBL4163518 | — | Kd | = | 1.2 | nM | 8.92 |
| CHEMBL4173471 | — | Kd | = | 1.4 | nM | 8.85 |
| CHEMBL4165896 | — | Kd | = | 1.6 | nM | 8.80 |
| CHEMBL4168586 | — | Kd | = | 1.7 | nM | 8.77 |
| CHEMBL4162451 | — | Kd | = | 1.8 | nM | 8.74 |
| CHEMBL4162133 | — | Kd | = | 2.0 | nM | 8.70 |
| CHEMBL4173501 | — | Kd | = | 2.0 | nM | 8.70 |
| CHEMBL4173814 | — | Kd | = | 2.3 | nM | 8.64 |
| CHEMBL4160627 | — | Kd | = | 2.8 | nM | 8.55 |
| CHEMBL4174214 | — | Kd | = | 3.0 | nM | 8.52 |
| CHEMBL4165127 | — | Kd | = | 3.5 | nM | 8.46 |
| CHEMBL4159066 | — | Kd | = | 3.6 | nM | 8.44 |
| CHEMBL4165543 | — | Kd | = | 3.6 | nM | 8.44 |
| CHEMBL4176828 | — | Kd | = | 6.0 | nM | 8.22 |
| CHEMBL4177268 | — | Kd | = | 36.0 | nM | 7.44 |
| CHEMBL4170058 | — | Kd | = | 36.0 | nM | 7.44 |
| CHEMBL4161701 | — | Kd | = | 36.0 | nM | 7.44 |