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Assay Detail

CHEMBL4156493

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

Binding
Binding affinity to recombinant human carbonic anhydrase 1 expressed in Escherichia coli 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

Target

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

Publication

Design of two-tail compounds with rotationally fixed benzenesulfonamide ring as inhibitors of carbonic anhydrases.
Zakšauskas A, Čapkauskaitė E, Jezepčikas L, Linkuvienė V, Kišonaitė M, Smirnov A, Manakova E, Gražulis S, Matulis D.
Eur J Med Chem (2018) 156 : 61 -78
PubMed 30006175 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Kd 29 4.62 5.96

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4160627 1 5.96
CHEMBL4176862 1 5.40
CHEMBL4168966 1 5.20
CHEMBL4176828 1 4.84
CHEMBL4161701 1 4.78
CHEMBL4165127 1 4.74
CHEMBL4170371 1 4.70
CHEMBL4162451 1 4.70
CHEMBL4175740 1 4.64
CHEMBL4170792 1 4.60
CHEMBL4165570 1 4.60
CHEMBL4165543 1 4.48
CHEMBL4160149 1 4.48
CHEMBL4163518 1 4.48
CHEMBL120886 1 4.30
CHEMBL4166964 1 4.30
CHEMBL4173501 1 4.15
CHEMBL4162133 1 4.00
CHEMBL4165896 1 4.00
CHEMBL4172331 1 4.00
CHEMBL4177268 1 -
CHEMBL4170058 1 -
CHEMBL4168586 1 -
CHEMBL4166643 1 -
CHEMBL4168997 1 -
CHEMBL4173814 1 -
CHEMBL4159066 1 -
CHEMBL4174214 1 -
CHEMBL4173471 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4160627 Kd = 1110.0 nM 5.96
CHEMBL4176862 Kd = 4000.0 nM 5.40
CHEMBL4168966 Kd = 6250.0 nM 5.20
CHEMBL4176828 Kd = 14300.0 nM 4.84
CHEMBL4161701 Kd = 16700.0 nM 4.78
CHEMBL4165127 Kd = 18200.0 nM 4.74
CHEMBL4170371 Kd = 20000.0 nM 4.70
CHEMBL4162451 Kd = 20000.0 nM 4.70
CHEMBL4175740 Kd = 22900.0 nM 4.64
CHEMBL4170792 Kd = 25000.0 nM 4.60
CHEMBL4165570 Kd = 25000.0 nM 4.60
CHEMBL4165543 Kd = 33300.0 nM 4.48
CHEMBL4160149 Kd = 33300.0 nM 4.48
CHEMBL4163518 Kd = 33300.0 nM 4.48
CHEMBL120886 Kd = 50000.0 nM 4.30
CHEMBL4166964 Kd = 50000.0 nM 4.30
CHEMBL4173501 Kd = 71400.0 nM 4.15
CHEMBL4162133 Kd = 100000.0 nM 4.00
CHEMBL4165896 Kd = 100000.0 nM 4.00
CHEMBL4172331 Kd = 100000.0 nM 4.00
CHEMBL4177268 Kd = 200000.0 nM -
CHEMBL4170058 Kd = 200000.0 nM -
CHEMBL4168586 Kd = 200000.0 nM -
CHEMBL4166643 Kd = 111000.0 nM -
CHEMBL4168997 Kd = 200000.0 nM -
CHEMBL4173814 Kd = 200000.0 nM -
CHEMBL4159066 Kd = 200000.0 nM -
CHEMBL4174214 Kd = 200000.0 nM -
CHEMBL4173471 Kd = 200000.0 nM -