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Assay Detail

CHEMBL4425335

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

Binding
Inhibition of human N-terminal His6-tagged PDE10A2 catalytic domain expressed in Escherichia coli BL21(DE3) RIL cells using 3',5'-cGMP as substrate by colorimetric assay
18
Total Activities
18
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

Publication

PDEStrIAn: A Phosphodiesterase Structure and Ligand Interaction Annotated Database As a Tool for Structure-Based Drug Design.
Jansen C, Kooistra AJ, Kanev GK, Leurs R, de Esch IJ, de Graaf C.
J Med Chem (2016) 59 : 7029 -7065
PubMed 26908025 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 18 5.01 5.96

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4583461 1 5.96
CHEMBL4453729 1 5.26
CHEMBL3092391 1 4.80
CHEMBL167727 1 4.03
CHEMBL164921 1 -
CHEMBL4436742 1 -
CHEMBL4466464 1 -
CHEMBL164449 1 -
CHEMBL266540 QUINAZOLINONE 1 -
CHEMBL395092 1 -
CHEMBL1409793 1 -
CHEMBL165372 1 -
CHEMBL4582404 1 -
CHEMBL3981727 1 -
CHEMBL4546836 1 -
CHEMBL4517551 1 -
CHEMBL1413383 1 -
CHEMBL4557075 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4583461 Ki = 1100.0 nM 5.96
CHEMBL4453729 Ki = 5500.0 nM 5.26
CHEMBL3092391 Ki = 16000.0 nM 4.80
CHEMBL167727 Ki = 94000.0 nM 4.03
CHEMBL164921 Ki = 500000.0 nM -
CHEMBL4436742 Ki = 450000.0 nM -
CHEMBL4466464 Ki = 380000.0 nM -
CHEMBL164449 Ki = 590000.0 nM -
CHEMBL266540 QUINAZOLINONE Ki = 910000.0 nM -
CHEMBL395092 Ki = 990000.0 nM -
CHEMBL1409793 Ki = 500000.0 nM -
CHEMBL165372 Ki = 560000.0 nM -
CHEMBL4582404 Ki = 940000.0 nM -
CHEMBL3981727 Ki = 300000.0 nM -
CHEMBL4546836 Ki = 1300000.0 nM -
CHEMBL4517551 Ki = 410000.0 nM -
CHEMBL1413383 Ki = 210000.0 nM -
CHEMBL4557075 Ki = 1200000.0 nM -