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Assay Detail

CHEMBL4316472

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Binding
Binding affinity to recombinant human carbonic anhydrase 1 expressed in Escherichia coli expression system assessed as observed dissociation constant fluorescent thermal shift assay
ChEMBL ↗
81
Total Activities
81
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

Target

Carbonic anhydrase 1 (CHEMBL261) ↗
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Zakšauskas A, Čapkauskaitė E, Jezepčikas L, Linkuvienė V, Paketurytė V, Smirnov A, Leitans J, Kazaks A, Dvinskis E, Manakova E, Gražulis S, Tars K, Matulis D.
Eur J Med Chem (2020) 185 : 111825 -111825
PubMed 31740053 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Kd 81 5.47 7.08

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4442511 — — 1 7.08
CHEMBL4517317 — — 1 7.04
CHEMBL4573963 — — 1 6.70
CHEMBL4562296 — — 1 6.48
CHEMBL4446052 — — 1 6.44
CHEMBL4451500 — — 1 6.40
CHEMBL4586089 — — 1 6.30
CHEMBL4441818 — — 1 6.30
CHEMBL4551069 — — 1 6.25
CHEMBL4543024 — — 1 6.23
CHEMBL4576689 — — 1 6.20
CHEMBL4583164 — — 1 6.17
CHEMBL4450456 — — 1 6.17
CHEMBL4539233 — — 1 6.08
CHEMBL4437818 — — 1 6.08
CHEMBL4578934 — — 1 6.04
CHEMBL4450545 — — 1 6.00
CHEMBL4558287 — — 1 6.00
CHEMBL4574321 — — 1 5.96
CHEMBL4450306 — — 1 5.96
CHEMBL4466735 — — 1 5.89
CHEMBL4436290 — — 1 5.89
CHEMBL4475073 — — 1 5.89
CHEMBL4454599 — — 1 5.89
CHEMBL4463844 — — 1 5.85
CHEMBL4459385 — — 1 5.85
CHEMBL4466140 — — 1 5.82
CHEMBL4456084 — — 1 5.80
CHEMBL4468834 — — 1 5.77
CHEMBL4582964 — — 1 5.77

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4442511 — Kd = 83.0 nM 7.08
CHEMBL4517317 — Kd = 91.0 nM 7.04
CHEMBL4573963 — Kd = 200.0 nM 6.70
CHEMBL4562296 — Kd = 330.0 nM 6.48
CHEMBL4446052 — Kd = 360.0 nM 6.44
CHEMBL4451500 — Kd = 400.0 nM 6.40
CHEMBL4586089 — Kd = 500.0 nM 6.30
CHEMBL4441818 — Kd = 500.0 nM 6.30
CHEMBL4551069 — Kd = 560.0 nM 6.25
CHEMBL4543024 — Kd = 590.0 nM 6.23
CHEMBL4576689 — Kd = 630.0 nM 6.20
CHEMBL4583164 — Kd = 670.0 nM 6.17
CHEMBL4450456 — Kd = 670.0 nM 6.17
CHEMBL4539233 — Kd = 830.0 nM 6.08
CHEMBL4437818 — Kd = 830.0 nM 6.08
CHEMBL4578934 — Kd = 910.0 nM 6.04
CHEMBL4450545 — Kd = 1000.0 nM 6.00
CHEMBL4558287 — Kd = 1000.0 nM 6.00
CHEMBL4574321 — Kd = 1100.0 nM 5.96
CHEMBL4450306 — Kd = 1100.0 nM 5.96
CHEMBL4466735 — Kd = 1300.0 nM 5.89
CHEMBL4436290 — Kd = 1300.0 nM 5.89
CHEMBL4475073 — Kd = 1300.0 nM 5.89
CHEMBL4454599 — Kd = 1300.0 nM 5.89
CHEMBL4459385 — Kd = 1400.0 nM 5.85
CHEMBL4463844 — Kd = 1400.0 nM 5.85
CHEMBL4466140 — Kd = 1500.0 nM 5.82
CHEMBL4456084 — Kd = 1600.0 nM 5.80
CHEMBL4468834 — Kd = 1700.0 nM 5.77
CHEMBL4582964 — Kd = 1700.0 nM 5.77
CHEMBL4444201 — Kd = 1800.0 nM 5.75
CHEMBL4451503 — Kd = 1900.0 nM 5.72
CHEMBL4469236 — Kd = 2000.0 nM 5.70
CHEMBL4588838 — Kd = 2000.0 nM 5.70
CHEMBL4573894 — Kd = 2000.0 nM 5.70
CHEMBL4443095 — Kd = 2000.0 nM 5.70
CHEMBL4514121 — Kd = 2000.0 nM 5.70
CHEMBL4565224 — Kd = 2100.0 nM 5.68
CHEMBL4456851 — Kd = 2200.0 nM 5.66
CHEMBL20 ACETAZOLAMIDE Kd = 2400.0 nM 5.62
CHEMBL4579465 — Kd = 2500.0 nM 5.60
CHEMBL4468310 — Kd = 2900.0 nM 5.54
CHEMBL4593681 — Kd = 3100.0 nM 5.51
CHEMBL4572161 — Kd = 3200.0 nM 5.50
CHEMBL4592616 — Kd = 3300.0 nM 5.48
CHEMBL4513684 — Kd = 3300.0 nM 5.48
CHEMBL4569008 — Kd = 3700.0 nM 5.43
CHEMBL4515586 — Kd = 4000.0 nM 5.40
CHEMBL4470832 — Kd = 5000.0 nM 5.30
CHEMBL4441901 — Kd = 6300.0 nM 5.20