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Assay Detail

CHEMBL4337972

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

Binding
Inhibition of HIV1 protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 peptide as substrate by FRET assay
122
Total Activities
122
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Human immunodeficiency virus 1
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Protease (CHEMBL2366517)
Type SINGLE PROTEIN
Organism Human immunodeficiency virus 1

Publication

Oleanolic Acid Derivatives as Potential Inhibitors of HIV-1 Protease.
Medina-O'Donnell M, Rivas F, Reyes-Zurita FJ, Cano-Muñoz M, Martinez A, Lupiañez JA, Parra A.
J Nat Prod (2019) 82 : 2886 -2896
PubMed 31617361 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 122 5.08 6.62

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL301728 ACETYLPEPSTATIN 1 6.62
CHEMBL4456124 1 6.23
CHEMBL4554132 1 6.10
CHEMBL4437692 1 6.06
CHEMBL4547137 1 6.00
CHEMBL4442340 1 6.00
CHEMBL4539603 1 5.92
CHEMBL4436109 1 5.80
CHEMBL4461755 1 5.66
CHEMBL4589326 1 5.66
CHEMBL4542116 1 5.64
CHEMBL4530451 1 5.51
CHEMBL4439699 1 5.50
CHEMBL4576277 1 5.46
CHEMBL4449440 1 5.34
CHEMBL4445601 1 5.18
CHEMBL4544704 1 5.02
CHEMBL4521631 1 4.91
CHEMBL4452290 1 4.75
CHEMBL4455173 1 4.75
CHEMBL4457431 1 4.70
CHEMBL4467735 1 4.69
CHEMBL4556934 1 4.63
CHEMBL4434969 1 4.62
CHEMBL4446985 1 4.52
CHEMBL4457594 1 4.51
CHEMBL4520771 1 4.49
CHEMBL4516844 1 4.48
CHEMBL4443019 1 4.41
CHEMBL4469936 1 4.41

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL301728 ACETYLPEPSTATIN IC50 = 240.0 nM 6.62
CHEMBL4456124 IC50 = 590.0 nM 6.23
CHEMBL4554132 IC50 = 790.0 nM 6.10
CHEMBL4437692 IC50 = 880.0 nM 6.06
CHEMBL4547137 IC50 = 1000.0 nM 6.00
CHEMBL4442340 IC50 = 1000.0 nM 6.00
CHEMBL4539603 IC50 = 1200.0 nM 5.92
CHEMBL4436109 IC50 = 1600.0 nM 5.80
CHEMBL4461755 IC50 = 2200.0 nM 5.66
CHEMBL4589326 IC50 = 2200.0 nM 5.66
CHEMBL4542116 IC50 = 2300.0 nM 5.64
CHEMBL4530451 IC50 = 3100.0 nM 5.51
CHEMBL4439699 IC50 = 3200.0 nM 5.50
CHEMBL4576277 IC50 = 3500.0 nM 5.46
CHEMBL4449440 IC50 = 4600.0 nM 5.34
CHEMBL4445601 IC50 = 6600.0 nM 5.18
CHEMBL4544704 IC50 = 9600.0 nM 5.02
CHEMBL4521631 IC50 = 12400.0 nM 4.91
CHEMBL4455173 IC50 = 17900.0 nM 4.75
CHEMBL4452290 IC50 = 17700.0 nM 4.75
CHEMBL4457431 IC50 = 19800.0 nM 4.70
CHEMBL4467735 IC50 = 20400.0 nM 4.69
CHEMBL4556934 IC50 = 23200.0 nM 4.63
CHEMBL4434969 IC50 = 24100.0 nM 4.62
CHEMBL4446985 IC50 = 30300.0 nM 4.52
CHEMBL4457594 IC50 = 31000.0 nM 4.51
CHEMBL4520771 IC50 = 32600.0 nM 4.49
CHEMBL4516844 IC50 = 33300.0 nM 4.48
CHEMBL4469936 IC50 = 38800.0 nM 4.41
CHEMBL4443019 IC50 = 38800.0 nM 4.41
CHEMBL4570395 IC50 = 40000.0 nM 4.40
CHEMBL4468681 IC50 = 40200.0 nM 4.40
CHEMBL4445157 IC50 = 41500.0 nM 4.38
CHEMBL4465606 IC50 = 47100.0 nM 4.33
CHEMBL4471963 IC50 = 46300.0 nM 4.33
CHEMBL4465430 IC50 = 47100.0 nM 4.33
CHEMBL168 OLEANOLIC_ACID IC50 = 57700.0 nM 4.24
CHEMBL4451914 IC50 > 50000.0 nM -
CHEMBL4541339 IC50 > 50000.0 nM -
CHEMBL4437082 IC50 > 50000.0 nM -
CHEMBL4570716 IC50 > 50000.0 nM -
CHEMBL4541946 IC50 > 50000.0 nM -
CHEMBL4578954 IC50 > 50000.0 nM -
CHEMBL4544245 IC50 > 50000.0 nM -
CHEMBL4567540 IC50 > 50000.0 nM -
CHEMBL4443113 IC50 > 50000.0 nM -
CHEMBL4471535 IC50 > 50000.0 nM -
CHEMBL4465146 IC50 > 50000.0 nM -
CHEMBL4546847 IC50 > 50000.0 nM -
CHEMBL4458924 IC50 > 50000.0 nM -