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Assay Detail

CHEMBL4223564

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

Binding
Inhibition of N-terminal poly-His tagged recombinant HCV genotype 1a NS3/4A protease expressed in Escherichia coli BL21(DE3) pLysS using HCV-FRET peptide substrate by FRET assay
35
Total Activities
35
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Hepatitis C virus subtype 1a
Confidence 6 — Multiple protein complex / RNA
Curated By Intermediate

Target

Hepatitis C virus serine protease, NS3/NS4A (CHEMBL2095231)
Type PROTEIN COMPLEX
Organism Hepatitis C virus

Publication

P3-P4 ureas and reverse carbamates as potent HCV NS3 protease inhibitors: Effective transposition of the P4 hydrogen bond donor.
Venables BL, Sin N, Wang AX, Sun LQ, Tu Y, Hernandez D, Sheaffer A, Lee M, Dunaj C, Zhai G, Barry D, Friborg J, Yu F, Knipe J, Sandquist J, Falk P, Parker D, Good AC, Rajamani R, McPhee F, Meanwell NA, Scola PM.
Bioorg Med Chem Lett (2018) 28 : 1853 -1859
PubMed 29650290 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 35 8.74 10.30

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4226033 1 10.30
CHEMBL4226876 1 9.72
CHEMBL4225009 1 9.68
CHEMBL4228791 1 9.66
CHEMBL4228440 1 9.62
CHEMBL4225149 1 9.57
CHEMBL4225051 1 9.52
CHEMBL4225768 1 9.47
CHEMBL4225514 1 9.40
CHEMBL4229110 1 9.36
CHEMBL4229052 1 9.34
CHEMBL4224705 1 9.15
CHEMBL4225301 1 9.09
CHEMBL4228533 1 9.05
CHEMBL2105735 ASUNAPREVIR 4.0 1 9.00
CHEMBL4227396 1 8.92
CHEMBL4228402 1 8.77
CHEMBL4228282 1 8.70
CHEMBL2403888 1 8.70
CHEMBL4229158 1 8.64
CHEMBL4227401 1 8.60
CHEMBL4226548 1 8.59
CHEMBL4225716 1 8.55
CHEMBL4225561 1 8.46
CHEMBL414993 1 8.35
CHEMBL4224849 1 8.34
CHEMBL4226979 1 8.33
CHEMBL4227183 1 8.10
CHEMBL4228080 1 8.00
CHEMBL4225245 1 7.96

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4226033 IC50 = 0.05 nM 10.30
CHEMBL4226876 IC50 = 0.19 nM 9.72
CHEMBL4225009 IC50 = 0.21 nM 9.68
CHEMBL4228791 IC50 = 0.22 nM 9.66
CHEMBL4228440 IC50 = 0.24 nM 9.62
CHEMBL4225149 IC50 = 0.27 nM 9.57
CHEMBL4225051 IC50 = 0.3 nM 9.52
CHEMBL4225768 IC50 = 0.34 nM 9.47
CHEMBL4225514 IC50 = 0.4 nM 9.40
CHEMBL4229110 IC50 = 0.44 nM 9.36
CHEMBL4229052 IC50 = 0.46 nM 9.34
CHEMBL4224705 IC50 = 0.7 nM 9.15
CHEMBL4225301 IC50 = 0.82 nM 9.09
CHEMBL4228533 IC50 = 0.9 nM 9.05
CHEMBL2105735 ASUNAPREVIR IC50 = 1.0 nM 9.00
CHEMBL4227396 IC50 = 1.2 nM 8.92
CHEMBL4228402 IC50 = 1.7 nM 8.77
CHEMBL4228282 IC50 = 2.0 nM 8.70
CHEMBL2403888 IC50 = 2.0 nM 8.70
CHEMBL4229158 IC50 = 2.3 nM 8.64
CHEMBL4227401 IC50 = 2.5 nM 8.60
CHEMBL4226548 IC50 = 2.6 nM 8.59
CHEMBL4225716 IC50 = 2.8 nM 8.55
CHEMBL4225561 IC50 = 3.5 nM 8.46
CHEMBL414993 IC50 = 4.5 nM 8.35
CHEMBL4224849 IC50 = 4.6 nM 8.34
CHEMBL4226979 IC50 = 4.7 nM 8.33
CHEMBL4227183 IC50 = 8.0 nM 8.10
CHEMBL4228080 IC50 = 10.0 nM 8.00
CHEMBL4225245 IC50 = 11.0 nM 7.96
CHEMBL4228457 IC50 = 12.0 nM 7.92
CHEMBL4228717 IC50 = 13.0 nM 7.89
CHEMBL4225027 IC50 = 23.0 nM 7.64
CHEMBL4224783 IC50 = 35.0 nM 7.46
CHEMBL4227273 IC50 = 945.0 nM 6.03