Assay Detail
Binding
CHEMBL1670882
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Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay
12
Total Activities
12
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
Kinetic and docking studies of phenol-based inhibitors of carbonic anhydrase isoforms I, II, IX and XII evidence a new binding mode within the enzyme active site.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 12 | 5.77 | 7.22 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL265674 | — | — | 1 | 7.22 |
| CHEMBL37537 | PROTOCATECHUIC ACID | — | 1 | 6.33 |
| CHEMBL1668603 | 1,2-DIMETHOXYBENZENE | — | 1 | 6.30 |
| CHEMBL95308 | 3,5-DIHYDROXYBENZOIC ACID | — | 1 | 6.29 |
| CHEMBL65369 | 3-HYDROXYBENZOIC ACID | — | 1 | 6.22 |
| CHEMBL488609 | 2,6-DIMETHOXYBENZOIC ACID | — | 1 | 5.99 |
| CHEMBL1668605 | 1,2,4-TRIMETHOXYBENZENE | — | 1 | 5.84 |
| CHEMBL1668604 | 1,4-DIMETHOXYBENZENE | — | 1 | 5.47 |
| CHEMBL14060 | PHENOL | 4.0 | 1 | 5.26 |
| CHEMBL118903 | VERATRIC ACID | — | 1 | 5.21 |
| CHEMBL52564 | O-COUMARIC ACID | — | 1 | 5.04 |
| CHEMBL23194 | SPERMINE | 0.5 | 1 | 4.08 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL265674 | — | Ki | = | 60.0 | nM | 7.22 |
| CHEMBL37537 | PROTOCATECHUIC ACID | Ki | = | 470.0 | nM | 6.33 |
| CHEMBL1668603 | 1,2-DIMETHOXYBENZENE | Ki | = | 500.0 | nM | 6.30 |
| CHEMBL95308 | 3,5-DIHYDROXYBENZOIC ACID | Ki | = | 510.0 | nM | 6.29 |
| CHEMBL65369 | 3-HYDROXYBENZOIC ACID | Ki | = | 600.0 | nM | 6.22 |
| CHEMBL488609 | 2,6-DIMETHOXYBENZOIC ACID | Ki | = | 1020.0 | nM | 5.99 |
| CHEMBL1668605 | 1,2,4-TRIMETHOXYBENZENE | Ki | = | 1430.0 | nM | 5.84 |
| CHEMBL1668604 | 1,4-DIMETHOXYBENZENE | Ki | = | 3350.0 | nM | 5.47 |
| CHEMBL14060 | PHENOL | Ki | = | 5500.0 | nM | 5.26 |
| CHEMBL118903 | VERATRIC ACID | Ki | = | 6180.0 | nM | 5.21 |
| CHEMBL52564 | O-COUMARIC ACID | Ki | = | 9200.0 | nM | 5.04 |
| CHEMBL23194 | SPERMINE | Ki | = | 84000.0 | nM | 4.08 |