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Assay Detail

CHEMBL4311598

Review assay metadata, readout intent, target linkage, and publication context from the same page.

Binding
Binding affinity to recombinant full length N-terminal His6x-tagged human CA5B expressed in Escherichia coli Rosetta 2 (DE3) by DSF-based fluorescence thermal shift assay
ChEMBL ↗
51
Total Activities
51
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 5B, mitochondrial (CHEMBL3969) ↗
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Pyrrolidinone-bearing methylated and halogenated benzenesulfonamides as inhibitors of carbonic anhydrases.
Vaškevičienė I, Paketurytė V, Pajanok N, Žukauskas Š, Sapijanskaitė B, Kantminienė K, Mickevičius V, Zubrienė A, Matulis D.
Bioorg Med Chem (2019) 27 : 322 -337
PubMed 30553625 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Kd 51 6.50 8.49

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4441730 — — 1 8.49
CHEMBL4573916 — — 1 8.42
CHEMBL4475315 — — 1 8.11
CHEMBL4516858 — — 1 7.89
CHEMBL4555622 — — 1 7.75
CHEMBL4463683 — — 1 7.70
CHEMBL4473602 — — 1 7.60
CHEMBL4444784 — — 1 7.55
CHEMBL4555586 — — 1 7.55
CHEMBL4539340 — — 1 7.40
CHEMBL4461481 — — 1 7.00
CHEMBL4458989 — — 1 6.85
CHEMBL4465027 — — 1 6.75
CHEMBL4553790 — — 1 6.72
CHEMBL4464359 — — 1 6.70
CHEMBL4457904 — — 1 6.60
CHEMBL4560953 — — 1 6.40
CHEMBL4567916 — — 1 6.30
CHEMBL4449149 — — 1 6.30
CHEMBL4452277 — — 1 6.28
CHEMBL4516072 — — 1 6.26
CHEMBL4443078 — — 1 6.20
CHEMBL4454574 — — 1 6.18
CHEMBL4587295 — — 1 6.17
CHEMBL4558235 — — 1 6.17
CHEMBL4474833 — — 1 6.15
CHEMBL4462447 — — 1 6.13
CHEMBL4577993 — — 1 6.11
CHEMBL4558457 — — 1 6.11
CHEMBL4577083 — — 1 5.96

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4441730 — Kd = 3.2 nM 8.49
CHEMBL4573916 — Kd = 3.8 nM 8.42
CHEMBL4475315 — Kd = 7.7 nM 8.11
CHEMBL4516858 — Kd = 13.0 nM 7.89
CHEMBL4555622 — Kd = 18.0 nM 7.75
CHEMBL4463683 — Kd = 20.0 nM 7.70
CHEMBL4473602 — Kd = 25.0 nM 7.60
CHEMBL4444784 — Kd = 28.0 nM 7.55
CHEMBL4555586 — Kd = 28.0 nM 7.55
CHEMBL4539340 — Kd = 40.0 nM 7.40
CHEMBL4461481 — Kd = 100.0 nM 7.00
CHEMBL4458989 — Kd = 140.0 nM 6.85
CHEMBL4465027 — Kd = 180.0 nM 6.75
CHEMBL4553790 — Kd = 190.0 nM 6.72
CHEMBL4464359 — Kd = 200.0 nM 6.70
CHEMBL4457904 — Kd = 250.0 nM 6.60
CHEMBL4560953 — Kd = 400.0 nM 6.40
CHEMBL4567916 — Kd = 500.0 nM 6.30
CHEMBL4449149 — Kd = 500.0 nM 6.30
CHEMBL4452277 — Kd = 530.0 nM 6.28
CHEMBL4516072 — Kd = 550.0 nM 6.26
CHEMBL4443078 — Kd = 630.0 nM 6.20
CHEMBL4454574 — Kd = 660.0 nM 6.18
CHEMBL4587295 — Kd = 670.0 nM 6.17
CHEMBL4558235 — Kd = 670.0 nM 6.17
CHEMBL4474833 — Kd = 710.0 nM 6.15
CHEMBL4462447 — Kd = 740.0 nM 6.13
CHEMBL4577993 — Kd = 770.0 nM 6.11
CHEMBL4558457 — Kd = 770.0 nM 6.11
CHEMBL4577083 — Kd = 1100.0 nM 5.96
CHEMBL4474251 — Kd = 1300.0 nM 5.89
CHEMBL4449430 — Kd = 1400.0 nM 5.85
CHEMBL4570253 — Kd = 2000.0 nM 5.70
CHEMBL4567746 — Kd = 3300.0 nM 5.48
CHEMBL4439909 — Kd = 3300.0 nM 5.48
CHEMBL4570038 — Kd = 3800.0 nM 5.42
CHEMBL4446249 — Kd = 4700.0 nM 5.33
CHEMBL4590754 — Kd = 7700.0 nM 5.11
CHEMBL4593434 — Kd = 10000.0 nM 5.00
CHEMBL4517728 — Kd = 10000.0 nM 5.00
CHEMBL4441652 — Kd >= 200000.0 nM -
CHEMBL1450580 — Kd >= 200000.0 nM -
CHEMBL4448119 — Kd - — -
CHEMBL2362604 — Kd >= 200000.0 nM -
CHEMBL4439634 — Kd >= 200000.0 nM -
CHEMBL4573073 — Kd >= 200000.0 nM -
CHEMBL4465434 — Kd >= 200000.0 nM -
CHEMBL4556132 — Kd - — -
CHEMBL4475283 — Kd >= 200000.0 nM -
CHEMBL4436955 — Kd >= 200000.0 nM -