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Assay Detail

CHEMBL5552437

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

Binding
Inhibition of human CA9 assessed as inhibition constant preincubated for 15 mins by phenol red dye based stopped-flow CO2 hydration assay
24
Total Activities
24
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 9 (CHEMBL3594)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

A new framework for novel analogues of pazopanib as potent and selective human carbonic anhydrase inhibitors: Design, repurposing rational, synthesis, crystallographic, in vivo and in vitro biological assessments.
Hefny SM, El-Moselhy TF, El-Din N, Ammara A, Angeli A, Ferraroni M, El-Dessouki AM, Shaldam MA, Yahya G, Al-Karmalawy AA, Supuran CT, Tawfik HO.
Eur J Med Chem (2024) 274 : 116527 -116527
PubMed 38810335 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 24 7.06 8.57

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5591900 1 8.57
CHEMBL477772 PAZOPANIB 4.0 1 8.04
CHEMBL2382401 1 8.01
CHEMBL5574983 1 7.92
CHEMBL5594056 1 7.82
CHEMBL5575167 1 7.70
CHEMBL20 ACETAZOLAMIDE 4.0 1 7.60
CHEMBL2382400 1 7.42
CHEMBL1615281 SLC-0111 1.0 1 7.35
CHEMBL5573411 1 7.32
CHEMBL5566364 1 7.28
CHEMBL5565594 1 7.12
CHEMBL5574036 1 7.06
CHEMBL5569578 1 7.02
CHEMBL5590657 1 6.92
CHEMBL5570199 1 6.79
CHEMBL5565094 1 6.59
CHEMBL5571304 1 6.52
CHEMBL2382337 1 6.37
CHEMBL5569259 1 6.26
CHEMBL5570589 1 6.17
CHEMBL5573856 1 6.02
CHEMBL5590806 1 5.85
CHEMBL5594314 1 5.64

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5591900 Ki = 2.7 nM 8.57
CHEMBL477772 PAZOPANIB Ki = 9.1 nM 8.04
CHEMBL2382401 Ki = 9.7 nM 8.01
CHEMBL5574983 Ki = 11.9 nM 7.92
CHEMBL5594056 Ki = 15.3 nM 7.82
CHEMBL5575167 Ki = 20.2 nM 7.70
CHEMBL20 ACETAZOLAMIDE Ki = 25.0 nM 7.60
CHEMBL2382400 Ki = 37.6 nM 7.42
CHEMBL1615281 SLC-0111 Ki = 45.0 nM 7.35
CHEMBL5573411 Ki = 47.6 nM 7.32
CHEMBL5566364 Ki = 52.1 nM 7.28
CHEMBL5565594 Ki = 75.2 nM 7.12
CHEMBL5574036 Ki = 86.4 nM 7.06
CHEMBL5569578 Ki = 96.2 nM 7.02
CHEMBL5590657 Ki = 121.0 nM 6.92
CHEMBL5570199 Ki = 162.0 nM 6.79
CHEMBL5565094 Ki = 259.2 nM 6.59
CHEMBL5571304 Ki = 303.9 nM 6.52
CHEMBL2382337 Ki = 427.2 nM 6.37
CHEMBL5569259 Ki = 551.2 nM 6.26
CHEMBL5570589 Ki = 672.1 nM 6.17
CHEMBL5573856 Ki = 945.7 nM 6.02
CHEMBL5590806 Ki = 1398.0 nM 5.85
CHEMBL5594314 Ki = 2307.0 nM 5.64