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Assay Detail

CHEMBL4406714

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Binding
Inhibition of HIV-1 protease
13
Total Activities
13
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

Structure-Based Design of Highly Potent HIV-1 Protease Inhibitors Containing New Tricyclic Ring P2-Ligands: Design, Synthesis, Biological, and X-ray Structural Studies.
Ghosh AK, Kovela S, Osswald HL, Amano M, Aoki M, Agniswamy J, Wang YF, Weber IT, Mitsuya H.
J Med Chem (2020) 63 : 4867 -4879
PubMed 32348139 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 13 10.50 10.80

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1323 DARUNAVIR 4.0 1 10.80
CHEMBL4533315 1 10.62
CHEMBL4437746 1 10.57
CHEMBL4469549 1 10.47
CHEMBL4460799 1 10.44
CHEMBL4568050 1 10.33
CHEMBL4592624 1 10.27
CHEMBL4514504 1 -
CHEMBL4545005 1 -
CHEMBL4435411 1 -
CHEMBL4586218 1 -
CHEMBL4449179 1 -
CHEMBL4532946 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1323 DARUNAVIR Ki = 0.016 nM 10.80
CHEMBL4533315 Ki = 0.024 nM 10.62
CHEMBL4437746 Ki = 0.027 nM 10.57
CHEMBL4469549 Ki = 0.034 nM 10.47
CHEMBL4460799 Ki = 0.036 nM 10.44
CHEMBL4568050 Ki = 0.047 nM 10.33
CHEMBL4592624 Ki = 0.054 nM 10.27
CHEMBL4514504 Ki = 0.002 nM -
CHEMBL4545005 Ki = 0.008 nM -
CHEMBL4435411 Ki = 0.006 nM -
CHEMBL4586218 Ki = 0.007 nM -
CHEMBL4449179 Ki = 0.008 nM -
CHEMBL4532946 Ki = 0.002 nM -