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Assay Detail

CHEMBL2175366

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

Binding
Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation proximity assay
31
Total Activities
31
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

Class 1 phosphodiesterase PDEB1 (CHEMBL2010636)
Type SINGLE PROTEIN
Organism Trypanosoma brucei

Publication

Catechol pyrazolinones as trypanocidals: fragment-based design, synthesis, and pharmacological evaluation of nanomolar inhibitors of trypanosomal phosphodiesterase B1.
Orrling KM, Jansen C, Vu XL, Balmer V, Bregy P, Shanmugham A, England P, Bailey D, Cos P, Maes L, Adams E, van den Bogaart E, Chatelain E, Ioset JR, van de Stolpe A, Zorg S, Veerman J, Seebeck T, Sterk GJ, de Esch IJ, Leurs R.
J Med Chem (2012) 55 : 8745 -8756
PubMed 22963052 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 31 5.95 7.31

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL2171452 1 7.31
CHEMBL2171451 1 6.80
CHEMBL2171460 1 6.60
CHEMBL2171456 1 6.40
CHEMBL2171660 1 6.39
CHEMBL2171461 1 6.30
CHEMBL2171664 1 6.30
CHEMBL2171462 1 6.20
CHEMBL2171459 1 6.20
CHEMBL2171458 1 6.10
CHEMBL2171658 1 6.10
CHEMBL2171657 1 6.08
CHEMBL2171457 1 6.00
CHEMBL2171663 1 6.00
CHEMBL2171651 1 5.70
CHEMBL2171656 1 5.70
CHEMBL2171655 1 5.70
CHEMBL2171654 1 5.60
CHEMBL2171453 1 5.60
CHEMBL2171454 1 5.30
CHEMBL2171455 1 5.30
CHEMBL2171661 1 5.20
CHEMBL2171662 1 5.00
CHEMBL2171659 1 4.92
CHEMBL2171653 1 -
CHEMBL2171652 1 -
CHEMBL2171650 1 -
CHEMBL2171465 1 -
CHEMBL2171464 1 -
CHEMBL2171463 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL2171452 IC50 = 49.0 nM 7.31
CHEMBL2171451 IC50 = 160.0 nM 6.80
CHEMBL2171460 IC50 = 250.0 nM 6.60
CHEMBL2171456 IC50 = 400.0 nM 6.40
CHEMBL2171660 IC50 = 410.0 nM 6.39
CHEMBL2171461 IC50 = 500.0 nM 6.30
CHEMBL2171664 IC50 = 500.0 nM 6.30
CHEMBL2171462 IC50 = 630.0 nM 6.20
CHEMBL2171459 IC50 = 630.0 nM 6.20
CHEMBL2171458 IC50 = 790.0 nM 6.10
CHEMBL2171658 IC50 = 790.0 nM 6.10
CHEMBL2171657 IC50 = 830.0 nM 6.08
CHEMBL2171457 IC50 = 1000.0 nM 6.00
CHEMBL2171663 IC50 = 1000.0 nM 6.00
CHEMBL2171651 IC50 = 2000.0 nM 5.70
CHEMBL2171656 IC50 = 2000.0 nM 5.70
CHEMBL2171655 IC50 = 2000.0 nM 5.70
CHEMBL2171654 IC50 = 2500.0 nM 5.60
CHEMBL2171453 IC50 = 2500.0 nM 5.60
CHEMBL2171454 IC50 = 5000.0 nM 5.30
CHEMBL2171455 IC50 = 5000.0 nM 5.30
CHEMBL2171661 IC50 = 6300.0 nM 5.20
CHEMBL2171662 IC50 = 10000.0 nM 5.00
CHEMBL2171659 IC50 = 12000.0 nM 4.92
CHEMBL2171653 IC50 > 10000.0 nM -
CHEMBL2171652 IC50 > 10000.0 nM -
CHEMBL2171650 IC50 > 10000.0 nM -
CHEMBL2171465 IC50 > 10000.0 nM -
CHEMBL2171464 IC50 > 10000.0 nM -
CHEMBL2171463 IC50 > 10000.0 nM -
CHEMBL63 ROLIPRAM IC50 > 100000.0 nM -