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Assay Detail

CHEMBL1695103

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

Binding
Inhibition of Mycobacterium tuberculosis recombinant Rv3273 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay
27
Total Activities
27
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Mycobacterium tuberculosis
Confidence 9 — Direct single protein target
Curated By Autocuration

Publication

Natural product-based phenols as novel probes for mycobacterial and fungal carbonic anhydrases.
Davis RA, Hofmann A, Osman A, Hall RA, Mühlschlegel FA, Vullo D, Innocenti A, Supuran CT, Poulsen SA.
J Med Chem (2011) 54 : 1682 -1692
PubMed 21332115 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 27 5.46 7.00

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL20 ACETAZOLAMIDE 4.0 1 7.00
CHEMBL750 ZONISAMIDE 4.0 1 6.68
CHEMBL606453 1 6.07
CHEMBL589604 1 6.05
CHEMBL517222 ENDIANDRIN B 1 6.05
CHEMBL589606 1 6.04
CHEMBL603189 POLYANDROCARPAMINE A 1 6.04
CHEMBL591736 POLYANDROCARPAMINE B 1 6.04
CHEMBL601464 1 6.01
CHEMBL589354 1 6.01
CHEMBL588491 1 5.94
CHEMBL220492 TOPIRAMATE 4.0 1 5.52
CHEMBL21 SULFANILAMIDE 4.0 1 5.15
CHEMBL228274 ENDIANDRIN A 1 5.05
CHEMBL375927 (-)-DIHYDROGUAIARETICACID 1 5.04
CHEMBL447310 1 5.04
CHEMBL578932 1 4.99
CHEMBL605189 1 4.98
CHEMBL592010 1 4.97
CHEMBL590883 1 4.96
CHEMBL463134 (+)-XYLARIAMIDE A 1 4.96
CHEMBL463133 (-)-XYLARIAMIDE A 1 4.95
CHEMBL592140 1 4.95
CHEMBL1772 1 4.94
CHEMBL592384 1 4.94
CHEMBL53566 TYROSOL 1 4.92
CHEMBL14060 PHENOL 4.0 1 4.10

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL20 ACETAZOLAMIDE Ki = 100.0 nM 7.00
CHEMBL750 ZONISAMIDE Ki = 210.0 nM 6.68
CHEMBL606453 Ki = 850.0 nM 6.07
CHEMBL589604 Ki = 900.0 nM 6.05
CHEMBL517222 ENDIANDRIN B Ki = 890.0 nM 6.05
CHEMBL589606 Ki = 910.0 nM 6.04
CHEMBL603189 POLYANDROCARPAMINE A Ki = 910.0 nM 6.04
CHEMBL591736 POLYANDROCARPAMINE B Ki = 920.0 nM 6.04
CHEMBL601464 Ki = 970.0 nM 6.01
CHEMBL589354 Ki = 980.0 nM 6.01
CHEMBL588491 Ki = 1140.0 nM 5.94
CHEMBL220492 TOPIRAMATE Ki = 3020.0 nM 5.52
CHEMBL21 SULFANILAMIDE Ki = 7110.0 nM 5.15
CHEMBL228274 ENDIANDRIN A Ki = 8920.0 nM 5.05
CHEMBL375927 (-)-DIHYDROGUAIARETICACID Ki = 9100.0 nM 5.04
CHEMBL447310 Ki = 9120.0 nM 5.04
CHEMBL578932 Ki = 10200.0 nM 4.99
CHEMBL605189 Ki = 10400.0 nM 4.98
CHEMBL592010 Ki = 10800.0 nM 4.97
CHEMBL590883 Ki = 10900.0 nM 4.96
CHEMBL463134 (+)-XYLARIAMIDE A Ki = 10900.0 nM 4.96
CHEMBL463133 (-)-XYLARIAMIDE A Ki = 11300.0 nM 4.95
CHEMBL592140 Ki = 11200.0 nM 4.95
CHEMBL1772 Ki = 11400.0 nM 4.94
CHEMBL592384 Ki = 11400.0 nM 4.94
CHEMBL53566 TYROSOL Ki = 12100.0 nM 4.92
CHEMBL14060 PHENOL Ki = 79000.0 nM 4.10