Skip to main content
Free research Free research Free assay review with research home and workspace preview
Quick search ChEMBL 36
Assay Detail

CHEMBL1023674

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

Binding
Inhibition of human ERG in MCF7 cells
ChEMBL ↗
37
Total Activities
37
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type MCF7
Confidence 9 — Direct single protein target
Curated By Intermediate

Target

Voltage-gated inwardly rectifying potassium channel KCNH2 (CHEMBL240) ↗
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

GRIND-based 3D-QSAR and CoMFA to investigate topics dominated by hydrophobic interactions: the case of hERG K+ channel blockers.
Ermondi G, Visentin S, Caron G.
Eur J Med Chem (2009) 44 : 1926 -1932
PubMed 19110341 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 37 6.33 9.04

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL296419 ASTEMIZOLE 4.0 1 9.04
CHEMBL1729 CISAPRIDE 4.0 1 8.19
CHEMBL327980 — — 1 8.11
CHEMBL473 DOFETILIDE 4.0 1 7.91
CHEMBL12713 SERTINDOLE 4.0 1 7.85
CHEMBL1423 PIMOZIDE 4.0 1 7.74
CHEMBL61301 TECASTEMIZOLE 2.0 1 7.55
CHEMBL54 HALOPERIDOL 4.0 1 7.55
CHEMBL1108 DROPERIDOL 4.0 1 7.49
CHEMBL479 THIORIDAZINE 4.0 1 7.45
CHEMBL17157 TERFENADINE 4.0 1 6.89
CHEMBL6966 VERAPAMIL 4.0 1 6.84
CHEMBL708 ZIPRASIDONE 4.0 1 6.82
CHEMBL219916 DOMPERIDONE 3.0 1 6.79
CHEMBL85 RISPERIDONE 4.0 1 6.79
CHEMBL998 LORATADINE 4.0 1 6.76
CHEMBL42 CLOZAPINE 4.0 1 6.72
CHEMBL1107 HALOFANTRINE 4.0 1 6.70
CHEMBL94454 MIZOLASTINE 4.0 1 6.45
CHEMBL1008 BEPRIDIL 4.0 1 6.26
CHEMBL123558 AZIMILIDE 3.0 1 6.25
CHEMBL45816 MIBEFRADIL 4.0 1 5.84
CHEMBL71 CHLORPROMAZINE 4.0 1 5.83
CHEMBL11 IMIPRAMINE 4.0 1 5.47
CHEMBL289469 GRANISETRON 4.0 1 5.42
CHEMBL370805 COCAINE 4.0 1 5.24
CHEMBL2368925 DOLASETRON 4.0 1 5.22
CHEMBL75880 PERHEXILINE 4.0 1 5.11
CHEMBL629 AMITRIPTYLINE 4.0 1 5.00
CHEMBL23 DILTIAZEM 4.0 1 4.76

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL296419 ASTEMIZOLE IC50 = 0.912 nM 9.04
CHEMBL1729 CISAPRIDE IC50 = 6.457 nM 8.19
CHEMBL327980 — IC50 = 7.762 nM 8.11
CHEMBL473 DOFETILIDE IC50 = 12.3 nM 7.91
CHEMBL12713 SERTINDOLE IC50 = 14.13 nM 7.85
CHEMBL1423 PIMOZIDE IC50 = 18.2 nM 7.74
CHEMBL61301 TECASTEMIZOLE IC50 = 28.18 nM 7.55
CHEMBL54 HALOPERIDOL IC50 = 28.18 nM 7.55
CHEMBL1108 DROPERIDOL IC50 = 32.36 nM 7.49
CHEMBL479 THIORIDAZINE IC50 = 35.48 nM 7.45
CHEMBL17157 TERFENADINE IC50 = 128.82 nM 6.89
CHEMBL6966 VERAPAMIL IC50 = 144.54 nM 6.84
CHEMBL708 ZIPRASIDONE IC50 = 151.36 nM 6.82
CHEMBL219916 DOMPERIDONE IC50 = 162.18 nM 6.79
CHEMBL85 RISPERIDONE IC50 = 162.18 nM 6.79
CHEMBL998 LORATADINE IC50 = 173.78 nM 6.76
CHEMBL42 CLOZAPINE IC50 = 190.55 nM 6.72
CHEMBL1107 HALOFANTRINE IC50 = 199.53 nM 6.70
CHEMBL94454 MIZOLASTINE IC50 = 354.81 nM 6.45
CHEMBL1008 BEPRIDIL IC50 = 549.54 nM 6.26
CHEMBL123558 AZIMILIDE IC50 = 562.34 nM 6.25
CHEMBL45816 MIBEFRADIL IC50 = 1445.44 nM 5.84
CHEMBL71 CHLORPROMAZINE IC50 = 1479.11 nM 5.83
CHEMBL11 IMIPRAMINE IC50 = 3388.44 nM 5.47
CHEMBL289469 GRANISETRON IC50 = 3801.89 nM 5.42
CHEMBL370805 COCAINE IC50 = 5754.4 nM 5.24
CHEMBL2368925 DOLASETRON IC50 = 6025.6 nM 5.22
CHEMBL75880 PERHEXILINE IC50 = 7762.47 nM 5.11
CHEMBL629 AMITRIPTYLINE IC50 = 10000.0 nM 5.00
CHEMBL23 DILTIAZEM IC50 = 17378.01 nM 4.76
CHEMBL914 FEXOFENADINE IC50 = 21379.62 nM 4.67
CHEMBL850 SPARFLOXACIN IC50 = 26302.68 nM 4.58
CHEMBL472 GLYBURIDE IC50 = 74131.02 nM 4.13
CHEMBL583 GREPAFLOXACIN IC50 = 77624.71 nM 4.11
CHEMBL192 SILDENAFIL IC50 = 100000.0 nM 4.00
CHEMBL32 MOXIFLOXACIN IC50 = 117489.76 nM -
CHEMBL31 GATIFLOXACIN IC50 = 128824.96 nM -