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Assay Detail

CHEMBL1676103

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Binding
Inhibition of human ERG
ChEMBL ↗
179
Total Activities
177
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

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

Publication

Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.
Sinha N, Sen S.
Eur J Med Chem (2011) 46 : 618 -630
PubMed 21185626 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 178 5.86 8.66
pIC50 1 - -

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL182977 — — 1 8.66
CHEMBL298978 — — 1 8.21
CHEMBL1729 CISAPRIDE 4.0 1 8.17
CHEMBL12780 — — 1 8.16
CHEMBL12186 — — 1 8.00
CHEMBL301956 — — 1 7.96
CHEMBL296419 ASTEMIZOLE 4.0 1 7.94
CHEMBL327980 — — 1 7.92
CHEMBL9484 CLOFILIUM 2.0 1 7.90
CHEMBL12713 SERTINDOLE 4.0 1 7.83
CHEMBL533 IBUTILIDE 4.0 1 7.82
CHEMBL92870 LIDOFLAZINE 2.0 1 7.80
CHEMBL1671894 — — 1 7.75
CHEMBL52627 — — 1 7.68
CHEMBL1008 BEPRIDIL 4.0 1 7.64
CHEMBL556312 — — 1 7.63
CHEMBL54 HALOPERIDOL 4.0 1 7.57
CHEMBL1108 DROPERIDOL 4.0 1 7.49
CHEMBL52999 — — 1 7.44
CHEMBL1423 PIMOZIDE 4.0 1 7.26
CHEMBL1671884 — — 1 7.10
CHEMBL443476 — — 1 7.06
CHEMBL479 THIORIDAZINE 4.0 1 7.02
CHEMBL1671885 — — 1 7.00
CHEMBL305187 IFENPRODIL 2.0 1 7.00
CHEMBL1673442 — — 1 6.97
CHEMBL531 PERGOLIDE 4.0 1 6.92
CHEMBL708 ZIPRASIDONE 4.0 1 6.90
CHEMBL415944 — — 1 6.88
CHEMBL53661 — — 1 6.86

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL182977 — IC50 = 2.188 nM 8.66
CHEMBL298978 — IC50 = 6.166 nM 8.21
CHEMBL1729 CISAPRIDE IC50 = 6.761 nM 8.17
CHEMBL12780 — IC50 = 6.918 nM 8.16
CHEMBL12186 — IC50 = 10.0 nM 8.00
CHEMBL301956 — IC50 = 10.96 nM 7.96
CHEMBL296419 ASTEMIZOLE IC50 = 11.48 nM 7.94
CHEMBL327980 — IC50 = 12.02 nM 7.92
CHEMBL9484 CLOFILIUM IC50 = 12.59 nM 7.90
CHEMBL12713 SERTINDOLE IC50 = 14.79 nM 7.83
CHEMBL533 IBUTILIDE IC50 = 15.14 nM 7.82
CHEMBL92870 LIDOFLAZINE IC50 = 15.85 nM 7.80
CHEMBL1671894 — IC50 = 17.78 nM 7.75
CHEMBL52627 — IC50 = 20.89 nM 7.68
CHEMBL1008 BEPRIDIL IC50 = 22.91 nM 7.64
CHEMBL556312 — IC50 = 23.44 nM 7.63
CHEMBL54 HALOPERIDOL IC50 = 26.92 nM 7.57
CHEMBL1108 DROPERIDOL IC50 = 32.36 nM 7.49
CHEMBL52999 — IC50 = 36.31 nM 7.44
CHEMBL1423 PIMOZIDE IC50 = 54.95 nM 7.26
CHEMBL1671884 — IC50 = 79.43 nM 7.10
CHEMBL443476 — IC50 = 87.1 nM 7.06
CHEMBL479 THIORIDAZINE IC50 = 95.5 nM 7.02
CHEMBL305187 IFENPRODIL IC50 = 100.0 nM 7.00
CHEMBL1671885 — IC50 = 100.0 nM 7.00
CHEMBL1673442 — IC50 = 107.15 nM 6.97
CHEMBL531 PERGOLIDE IC50 = 120.23 nM 6.92
CHEMBL708 ZIPRASIDONE IC50 = 125.89 nM 6.90
CHEMBL415944 — IC50 = 131.83 nM 6.88
CHEMBL53661 — IC50 = 138.04 nM 6.86
CHEMBL6966 VERAPAMIL IC50 = 141.25 nM 6.85
CHEMBL85 RISPERIDONE IC50 = 147.91 nM 6.83
CHEMBL219916 DOMPERIDONE IC50 = 162.18 nM 6.79
CHEMBL998 LORATADINE IC50 = 173.78 nM 6.76
CHEMBL167779 ZUCLOMIPHENE IC50 = 181.97 nM 6.74
CHEMBL1107 HALOFANTRINE IC50 = 194.98 nM 6.71
CHEMBL94664 — IC50 = 199.53 nM 6.70
CHEMBL715 OLANZAPINE IC50 = 204.17 nM 6.69
CHEMBL273235 — IC50 = 204.17 nM 6.69
CHEMBL43 AMSACRINE IC50 = 208.93 nM 6.68
CHEMBL17157 TERFENADINE IC50 = 213.8 nM 6.67
CHEMBL715 OLANZAPINE IC50 = 229.09 nM 6.64
CHEMBL1671893 — IC50 = 251.19 nM 6.60
CHEMBL184412 DRONEDARONE IC50 = 316.23 nM 6.50
CHEMBL1088 MESORIDAZINE IC50 = 316.23 nM 6.50
CHEMBL305660 EBASTINE IC50 = 331.13 nM 6.48
CHEMBL94454 MIZOLASTINE IC50 = 436.52 nM 6.36
CHEMBL41 FLUOXETINE IC50 = 457.09 nM 6.34
CHEMBL52832 — IC50 = 457.09 nM 6.34
CHEMBL1673443 — IC50 = 501.19 nM 6.30