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Assay Detail

CHEMBL4223567

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 2b NS3/4A protease expressed in Escherichia coli BL21(DE3) pLysS using HCV-FRET peptide substrate by FRET assay
25
Total Activities
25
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Hepatitis C virus subtype 2b
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 25 7.39 8.49

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4227183 1 8.49
CHEMBL4224849 1 8.15
CHEMBL4229158 1 8.06
CHEMBL4226033 1 8.05
CHEMBL4228440 1 7.85
CHEMBL4225051 1 7.85
CHEMBL4225514 1 7.77
CHEMBL414993 1 7.75
CHEMBL4225768 1 7.72
CHEMBL4225149 1 7.72
CHEMBL4225009 1 7.64
CHEMBL4229110 1 7.51
CHEMBL4229052 1 7.48
CHEMBL4228791 1 7.38
CHEMBL4226876 1 7.23
CHEMBL4224705 1 7.23
CHEMBL4227396 1 7.18
CHEMBL4225301 1 6.94
CHEMBL4228282 1 6.92
CHEMBL4227401 1 6.76
CHEMBL4226548 1 6.74
CHEMBL2403888 1 6.73
CHEMBL4226979 1 6.65
CHEMBL4225245 1 6.56
CHEMBL4225561 1 6.49

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4227183 IC50 = 3.2 nM 8.49
CHEMBL4224849 IC50 = 7.0 nM 8.15
CHEMBL4229158 IC50 = 8.7 nM 8.06
CHEMBL4226033 IC50 = 9.0 nM 8.05
CHEMBL4228440 IC50 = 14.0 nM 7.85
CHEMBL4225051 IC50 = 14.0 nM 7.85
CHEMBL4225514 IC50 = 17.0 nM 7.77
CHEMBL414993 IC50 = 18.0 nM 7.75
CHEMBL4225768 IC50 = 19.0 nM 7.72
CHEMBL4225149 IC50 = 19.0 nM 7.72
CHEMBL4225009 IC50 = 23.0 nM 7.64
CHEMBL4229110 IC50 = 31.0 nM 7.51
CHEMBL4229052 IC50 = 33.0 nM 7.48
CHEMBL4228791 IC50 = 42.0 nM 7.38
CHEMBL4226876 IC50 = 59.0 nM 7.23
CHEMBL4224705 IC50 = 59.0 nM 7.23
CHEMBL4227396 IC50 = 66.0 nM 7.18
CHEMBL4225301 IC50 = 114.0 nM 6.94
CHEMBL4228282 IC50 = 121.0 nM 6.92
CHEMBL4227401 IC50 = 172.0 nM 6.76
CHEMBL4226548 IC50 = 184.0 nM 6.74
CHEMBL2403888 IC50 = 187.0 nM 6.73
CHEMBL4226979 IC50 = 226.0 nM 6.65
CHEMBL4225245 IC50 = 277.0 nM 6.56
CHEMBL4225561 IC50 = 327.0 nM 6.49