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Assay Detail

CHEMBL1837593

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Binding
Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay
ChEMBL ↗
78
Total Activities
78
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Trypanosoma brucei brucei
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Trypanothione reductase (CHEMBL1837) ↗
Type SINGLE PROTEIN
Organism Trypanosoma brucei brucei

Publication

Dihydroquinazolines as a novel class of Trypanosoma brucei trypanothione reductase inhibitors: discovery, synthesis, and characterization of their binding mode by protein crystallography.
Patterson S, Alphey MS, Jones DC, Shanks EJ, Street IP, Frearson JA, Wyatt PG, Gilbert IH, Fairlamb AH.
J Med Chem (2011) 54 : 6514 -6530
PubMed 21851087 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 78 5.50 6.64

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1836603 — — 1 6.64
CHEMBL1836574 — — 1 6.46
CHEMBL1836570 — — 1 6.43
CHEMBL1836567 — — 1 6.38
CHEMBL1836615 — — 1 6.23
CHEMBL1836611 — — 1 6.15
CHEMBL1836612 — — 1 6.14
CHEMBL1836571 — — 1 6.11
CHEMBL1836572 — — 1 6.10
CHEMBL1836577 — — 1 6.10
CHEMBL1836371 — — 1 6.09
CHEMBL1836562 — — 1 6.09
CHEMBL1836559 — — 1 6.07
CHEMBL1836606 — — 1 6.05
CHEMBL1836365 — — 1 6.03
CHEMBL1836368 — — 1 6.03
CHEMBL1836378 — — 1 6.03
CHEMBL1836380 — — 1 6.00
CHEMBL1836367 — — 1 5.96
CHEMBL1836375 — — 1 5.92
CHEMBL1836616 — — 1 5.92
CHEMBL1836372 — — 1 5.89
CHEMBL1836573 — — 1 5.89
CHEMBL1836604 — — 1 5.89
CHEMBL1836561 — — 1 5.89
CHEMBL1836370 — — 1 5.82
CHEMBL1836565 — — 1 5.82
CHEMBL1836563 — — 1 5.82
CHEMBL1836614 — — 1 5.82
CHEMBL1836569 — — 1 5.80

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1836603 — IC50 = 230.0 nM 6.64
CHEMBL1836574 — IC50 = 350.0 nM 6.46
CHEMBL1836570 — IC50 = 370.0 nM 6.43
CHEMBL1836567 — IC50 = 420.0 nM 6.38
CHEMBL1836615 — IC50 = 590.0 nM 6.23
CHEMBL1836611 — IC50 = 710.0 nM 6.15
CHEMBL1836612 — IC50 = 730.0 nM 6.14
CHEMBL1836571 — IC50 = 780.0 nM 6.11
CHEMBL1836572 — IC50 = 790.0 nM 6.10
CHEMBL1836577 — IC50 = 790.0 nM 6.10
CHEMBL1836371 — IC50 = 810.0 nM 6.09
CHEMBL1836562 — IC50 = 810.0 nM 6.09
CHEMBL1836559 — IC50 = 860.0 nM 6.07
CHEMBL1836606 — IC50 = 900.0 nM 6.05
CHEMBL1836378 — IC50 = 930.0 nM 6.03
CHEMBL1836365 — IC50 = 930.0 nM 6.03
CHEMBL1836368 — IC50 = 940.0 nM 6.03
CHEMBL1836380 — IC50 = 1000.0 nM 6.00
CHEMBL1836367 — IC50 = 1100.0 nM 5.96
CHEMBL1836375 — IC50 = 1200.0 nM 5.92
CHEMBL1836616 — IC50 = 1200.0 nM 5.92
CHEMBL1836372 — IC50 = 1300.0 nM 5.89
CHEMBL1836573 — IC50 = 1300.0 nM 5.89
CHEMBL1836604 — IC50 = 1300.0 nM 5.89
CHEMBL1836561 — IC50 = 1300.0 nM 5.89
CHEMBL1836370 — IC50 = 1500.0 nM 5.82
CHEMBL1836614 — IC50 = 1500.0 nM 5.82
CHEMBL1836565 — IC50 = 1500.0 nM 5.82
CHEMBL1836563 — IC50 = 1500.0 nM 5.82
CHEMBL1836569 — IC50 = 1600.0 nM 5.80
CHEMBL1836621 — IC50 = 1600.0 nM 5.80
CHEMBL1836566 — IC50 = 1600.0 nM 5.80
CHEMBL1836558 — IC50 = 1700.0 nM 5.77
CHEMBL1836382 — IC50 = 1700.0 nM 5.77
CHEMBL1836564 — IC50 = 1700.0 nM 5.77
CHEMBL1836560 — IC50 = 1800.0 nM 5.75
CHEMBL1836376 — IC50 = 1800.0 nM 5.75
CHEMBL1836381 — IC50 = 2000.0 nM 5.70
CHEMBL1836568 — IC50 = 2000.0 nM 5.70
CHEMBL1836366 — IC50 = 2000.0 nM 5.70
CHEMBL1836384 — IC50 = 2100.0 nM 5.68
CHEMBL1836374 — IC50 = 2200.0 nM 5.66
CHEMBL1836373 — IC50 = 2200.0 nM 5.66
CHEMBL1836385 — IC50 = 2300.0 nM 5.64
CHEMBL1836383 — IC50 = 2600.0 nM 5.58
CHEMBL1836377 — IC50 = 2800.0 nM 5.55
CHEMBL1836379 — IC50 = 3500.0 nM 5.46
CHEMBL1836369 — IC50 = 3500.0 nM 5.46
CHEMBL1836576 — IC50 = 4400.0 nM 5.36
CHEMBL1836617 — IC50 = 4600.0 nM 5.34