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Assay Detail

CHEMBL1947439

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

Binding
Inhibition of GST-tagged astrosclera willeyana Astrosclerin-3 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay
42
Total Activities
42
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Astrosclera willeyana
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Astrosclerin-3 (CHEMBL1944499)
Type SINGLE PROTEIN
Organism Astrosclera willeyana

Publication

Cloning, characterization and sulfonamide inhibition studies of an α-carbonic anhydrase from the living fossil sponge Astrosclera willeyana.
Ohradanova A, Vullo D, Pastorekova S, Pastorek J, Jackson DJ, Wörheide G, Supuran CT.
Bioorg Med Chem (2012) 20 : 1403 -1410
PubMed 22285172 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 42 6.45 8.55

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL71611 1 8.55
CHEMBL268439 1 8.41
CHEMBL7146 1 7.80
CHEMBL73962 BENZOLAMIDE 1 7.50
CHEMBL51668 1 7.47
CHEMBL220492 TOPIRAMATE 4.0 1 7.42
CHEMBL266026 1 7.32
CHEMBL20 ACETAZOLAMIDE 4.0 1 7.29
CHEMBL6633 1 7.27
CHEMBL17 DICHLORPHENAMIDE 4.0 1 7.21
CHEMBL750 ZONISAMIDE 4.0 1 6.78
CHEMBL328560 SULTHIAME 3.0 1 6.56
CHEMBL220491 BRINZOLAMIDE 4.0 1 6.56
CHEMBL218490 DORZOLAMIDE 4.0 1 6.55
CHEMBL19 METHAZOLAMIDE 4.0 1 6.49
CHEMBL265674 1 6.43
CHEMBL26 SULPIRIDE 3.0 1 6.42
CHEMBL6753 1 6.41
CHEMBL18 ETHOXZOLAMIDE 4.0 1 6.41
CHEMBL435 HYDROCHLOROTHIAZIDE 4.0 1 6.41
CHEMBL77517 INDISULAM 2.0 1 6.37
CHEMBL865 VALDECOXIB 4.0 1 6.29
CHEMBL418 2,4-DISULFAMYLTRIFLUOROMETHYLANILINE 1 6.26
CHEMBL574 P-TOLUENESULFONAMIDE 3.0 1 6.17
CHEMBL7087 1 6.15
CHEMBL118 CELECOXIB 4.0 1 6.13
CHEMBL310671 SACCHARIN 3.0 1 6.12
CHEMBL360356 1 6.10
CHEMBL266240 1 6.09
CHEMBL6685 1 6.06

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL71611 Ki = 2.8 nM 8.55
CHEMBL268439 Ki = 3.9 nM 8.41
CHEMBL7146 Ki = 16.0 nM 7.80
CHEMBL73962 BENZOLAMIDE Ki = 32.0 nM 7.50
CHEMBL51668 Ki = 34.0 nM 7.47
CHEMBL220492 TOPIRAMATE Ki = 38.0 nM 7.42
CHEMBL266026 Ki = 48.0 nM 7.32
CHEMBL20 ACETAZOLAMIDE Ki = 51.0 nM 7.29
CHEMBL6633 Ki = 54.0 nM 7.27
CHEMBL17 DICHLORPHENAMIDE Ki = 62.0 nM 7.21
CHEMBL750 ZONISAMIDE Ki = 165.0 nM 6.78
CHEMBL220491 BRINZOLAMIDE Ki = 278.0 nM 6.56
CHEMBL328560 SULTHIAME Ki = 276.0 nM 6.56
CHEMBL218490 DORZOLAMIDE Ki = 280.0 nM 6.55
CHEMBL19 METHAZOLAMIDE Ki = 326.0 nM 6.49
CHEMBL265674 Ki = 370.0 nM 6.43
CHEMBL26 SULPIRIDE Ki = 378.0 nM 6.42
CHEMBL6753 Ki = 393.0 nM 6.41
CHEMBL18 ETHOXZOLAMIDE Ki = 387.0 nM 6.41
CHEMBL435 HYDROCHLOROTHIAZIDE Ki = 394.0 nM 6.41
CHEMBL77517 INDISULAM Ki = 423.0 nM 6.37
CHEMBL865 VALDECOXIB Ki = 517.0 nM 6.29
CHEMBL418 2,4-DISULFAMYLTRIFLUOROMETHYLANILINE Ki = 552.0 nM 6.26
CHEMBL574 P-TOLUENESULFONAMIDE Ki = 675.0 nM 6.17
CHEMBL7087 Ki = 715.0 nM 6.15
CHEMBL118 CELECOXIB Ki = 732.0 nM 6.13
CHEMBL310671 SACCHARIN Ki = 751.0 nM 6.12
CHEMBL360356 Ki = 792.0 nM 6.10
CHEMBL266240 Ki = 820.0 nM 6.09
CHEMBL6685 Ki = 866.0 nM 6.06
CHEMBL67755 Ki = 879.0 nM 6.06
CHEMBL6853 Ki = 890.0 nM 6.05
CHEMBL7092 Ki = 884.0 nM 6.05
CHEMBL306195 Ki = 965.0 nM 6.01
CHEMBL419 MAFENIDE Ki = 973.0 nM 6.01
CHEMBL414 CARZENIDE Ki = 1215.0 nM 5.92
CHEMBL6784 Ki = 1380.0 nM 5.86
CHEMBL6919 Ki = 4260.0 nM 5.37
CHEMBL7204 Ki = 6081.0 nM 5.22
CHEMBL6705 Ki = 7750.0 nM 5.11
CHEMBL21 SULFANILAMIDE Ki = 7700.0 nM 5.11
CHEMBL176495 Ki = 8850.0 nM 5.05