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Assay Detail

CHEMBL5097376

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

Binding
Inhibition of PSMA derived from human LNCaP cell lysate assessed as inhibition of NAAG hydrolysis incubated for 2 hrs in presence of NAAG by Amplex Red assay
26
Total Activities
25
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type LNCaP
Subcellular Lysate
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Glutamate carboxypeptidase 2 (CHEMBL1892)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Synthesis and Biological Evaluation of PSMA Ligands with Aromatic Residues and Fluorescent Conjugates Based on Them.
Machulkin AE, Shafikov RR, Uspenskaya AA, Petrov SA, Ber AP, Skvortsov DA, Nimenko EA, Zyk NU, Smirnova GB, Pokrovsky VS, Abakumov MA, Saltykova IV, Akhmirov RT, Garanina AS, Polshakov VI, Saveliev OY, Ivanenkov YA, Aladinskaya AV, Finko AV, Yamansarov EU, Krasnovskaya OO, Erofeev AS, Gorelkin PV, Dontsova OA, Beloglazkina EK, Zyk NV, Khazanova ES, Majouga AG.
J Med Chem (2021) 64 : 4532 -4552
PubMed 33822606 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 23 7.10 8.52
Ki 3 8.44 9.00

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5193353 2 9.00
CHEMBL5186540 1 8.59
CHEMBL5175556 1 7.77
CHEMBL5206903 1 7.74
CHEMBL5199943 1 7.57
CHEMBL5174173 1 7.55
CHEMBL5191246 1 7.42
CHEMBL5204105 1 7.37
CHEMBL5173940 1 7.34
CHEMBL5195613 1 7.34
CHEMBL5206132 1 7.30
CHEMBL5176891 1 7.26
CHEMBL5209061 1 7.21
CHEMBL5206082 1 7.20
CHEMBL47009 1 7.10
CHEMBL5181465 1 7.10
CHEMBL5182882 1 7.05
CHEMBL5209008 1 6.97
CHEMBL5194398 1 6.97
CHEMBL5200623 1 6.76
CHEMBL5184603 1 6.65
CHEMBL5171260 1 6.53
CHEMBL5202302 1 6.50
CHEMBL458202 1 6.26
CHEMBL5191610 1 5.50

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5193353 Ki = 1.0 nM 9.00
CHEMBL5186540 Ki = 2.6 nM 8.59
CHEMBL5193353 IC50 = 3.0 nM 8.52
CHEMBL5175556 IC50 = 17.0 nM 7.77
CHEMBL5206903 Ki = 18.1 nM 7.74
CHEMBL5199943 IC50 = 27.0 nM 7.57
CHEMBL5174173 IC50 = 28.0 nM 7.55
CHEMBL5191246 IC50 = 38.0 nM 7.42
CHEMBL5204105 IC50 = 43.0 nM 7.37
CHEMBL5195613 IC50 = 46.0 nM 7.34
CHEMBL5173940 IC50 = 46.0 nM 7.34
CHEMBL5206132 IC50 = 50.0 nM 7.30
CHEMBL5176891 IC50 = 55.0 nM 7.26
CHEMBL5209061 IC50 = 62.0 nM 7.21
CHEMBL5206082 IC50 = 63.0 nM 7.20
CHEMBL5181465 IC50 = 80.0 nM 7.10
CHEMBL47009 IC50 = 80.0 nM 7.10
CHEMBL5182882 IC50 = 89.0 nM 7.05
CHEMBL5209008 IC50 = 107.0 nM 6.97
CHEMBL5194398 IC50 = 108.0 nM 6.97
CHEMBL5200623 IC50 = 175.0 nM 6.76
CHEMBL5184603 IC50 = 226.0 nM 6.65
CHEMBL5171260 IC50 = 294.0 nM 6.53
CHEMBL5202302 IC50 = 319.0 nM 6.50
CHEMBL458202 IC50 = 547.0 nM 6.26
CHEMBL5191610 IC50 = 3158.0 nM 5.50