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Assay Detail

CHEMBL664294

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Binding
Inhibitory activity against chymotrypsinogen
34
Total Activities
34
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

Chymotrypsin-C (CHEMBL2386)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

A common mechanism underlying promiscuous inhibitors from virtual and high-throughput screening.
McGovern SL, Caselli E, Grigorieff N, Shoichet BK.
J Med Chem (2002) 45 : 1712 -1722
PubMed 11931626 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 34 4.66 5.70

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL45494 1 5.70
CHEMBL49869 1 5.60
CHEMBL47626 1 5.52
CHEMBL46202 1 5.10
CHEMBL298301 1 5.05
CHEMBL45981 1 5.00
CHEMBL1160008 IODOPHTHALEIN 2.0 1 4.96
CHEMBL1628078 1 4.89
CHEMBL48334 1 4.89
CHEMBL47173 1 4.82
CHEMBL49498 1 4.82
CHEMBL45841 1 4.82
CHEMBL430923 1 4.82
CHEMBL46040 1 4.82
CHEMBL34712 1 4.60
CHEMBL124855 1 4.60
CHEMBL296455 1 4.52
CHEMBL48760 1 4.52
CHEMBL298653 1 4.40
CHEMBL429694 CONGO RED -1.0 1 4.40
CHEMBL3137827 1 4.40
CHEMBL45343 1 4.30
CHEMBL1160160 ROSE BENGAL 1 4.30
CHEMBL47606 1 4.30
CHEMBL46666 1 4.26
CHEMBL412073 1 4.22
CHEMBL50656 1 4.10
CHEMBL420168 1 4.05
CHEMBL50 QUERCETIN 3.0 1 4.00
CHEMBL34034 1 4.00

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL45494 IC50 = 2000.0 nM 5.70
CHEMBL49869 IC50 = 2500.0 nM 5.60
CHEMBL47626 IC50 = 3000.0 nM 5.52
CHEMBL46202 IC50 = 8000.0 nM 5.10
CHEMBL298301 IC50 = 9000.0 nM 5.05
CHEMBL45981 IC50 = 10000.0 nM 5.00
CHEMBL1160008 IODOPHTHALEIN IC50 = 11000.0 nM 4.96
CHEMBL1628078 IC50 = 13000.0 nM 4.89
CHEMBL48334 IC50 = 13000.0 nM 4.89
CHEMBL47173 IC50 = 15000.0 nM 4.82
CHEMBL49498 IC50 = 15000.0 nM 4.82
CHEMBL45841 IC50 = 15000.0 nM 4.82
CHEMBL430923 IC50 = 15000.0 nM 4.82
CHEMBL46040 IC50 = 15000.0 nM 4.82
CHEMBL124855 IC50 = 25000.0 nM 4.60
CHEMBL34712 IC50 = 25000.0 nM 4.60
CHEMBL48760 IC50 = 30000.0 nM 4.52
CHEMBL296455 IC50 = 30000.0 nM 4.52
CHEMBL298653 IC50 = 40000.0 nM 4.40
CHEMBL429694 CONGO RED IC50 = 40000.0 nM 4.40
CHEMBL3137827 IC50 = 40000.0 nM 4.40
CHEMBL45343 IC50 = 50000.0 nM 4.30
CHEMBL1160160 ROSE BENGAL IC50 = 50000.0 nM 4.30
CHEMBL47606 IC50 = 50000.0 nM 4.30
CHEMBL46666 IC50 = 55000.0 nM 4.26
CHEMBL412073 IC50 = 60000.0 nM 4.22
CHEMBL50656 IC50 = 80000.0 nM 4.10
CHEMBL420168 IC50 = 90000.0 nM 4.05
CHEMBL50 QUERCETIN IC50 = 100000.0 nM 4.00
CHEMBL34034 IC50 = 100000.0 nM 4.00
CHEMBL47808 IC50 = 220000.0 nM -
CHEMBL1627394 IC50 = 200000.0 nM -
CHEMBL1160166 IC50 = 110000.0 nM -
CHEMBL298518 IC50 = 700000.0 nM -