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Assay Detail

CHEMBL764116

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

Binding
Inhibition of PNMT (Phenylethanolamine N-Methyltransferase) in vitro
16
Total Activities
16
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Confidence 8 — Homologous single protein target
Curated By Expert

Target

Phenylethanolamine N-methyltransferase (CHEMBL2331)
Type SINGLE PROTEIN
Organism Bos taurus

Publication

Synthesis and evaluation of 3-trifluoromethyl-7-substituted-1,2,3, 4-tetrahydroisoquinolines as selective inhibitors of phenylethanolamine N-methyltransferase versus the alpha(2)-adrenoceptor.
Grunewald GL, Caldwell TM, Li Q, Criscione KR.
J Med Chem (1999) 42 : 3315 -3323
PubMed 10464018 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 16 5.63 6.66

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL287837 1 6.66
CHEMBL38681 1 6.58
CHEMBL41647 1 6.47
CHEMBL112964 1 6.28
CHEMBL26717 1 6.25
CHEMBL43021 1 6.19
CHEMBL60068 1 5.96
CHEMBL112351 1 5.70
CHEMBL60434 1 5.68
CHEMBL6409 CGS-19281A 1 5.57
CHEMBL294562 1 5.04
CHEMBL14346 1,2,3,4-TETRAHYDROISOQUINOLINE 1 5.00
CHEMBL112038 1 4.89
CHEMBL444793 1 4.82
CHEMBL59994 1 4.62
CHEMBL112357 1 4.44

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL287837 Ki = 220.0 nM 6.66
CHEMBL38681 Ki = 260.0 nM 6.58
CHEMBL41647 Ki = 340.0 nM 6.47
CHEMBL112964 Ki = 520.0 nM 6.28
CHEMBL26717 Ki = 560.0 nM 6.25
CHEMBL43021 Ki = 640.0 nM 6.19
CHEMBL60068 Ki = 1100.0 nM 5.96
CHEMBL112351 Ki = 2000.0 nM 5.70
CHEMBL60434 Ki = 2100.0 nM 5.68
CHEMBL6409 CGS-19281A Ki = 2700.0 nM 5.57
CHEMBL294562 Ki = 9200.0 nM 5.04
CHEMBL14346 1,2,3,4-TETRAHYDROISOQUINOLINE Ki = 10000.0 nM 5.00
CHEMBL112038 Ki = 13000.0 nM 4.89
CHEMBL444793 Ki = 15000.0 nM 4.82
CHEMBL59994 Ki = 24000.0 nM 4.62
CHEMBL112357 Ki = 36000.0 nM 4.44