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Assay Detail

CHEMBL764930

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Binding
Binding affinity towards HIV protease was determined
22
Total Activities
22
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Confidence 8 — Homologous single protein target
Curated By Expert

Target

Human immunodeficiency virus type 1 protease (CHEMBL243)
Type SINGLE PROTEIN
Organism Human immunodeficiency virus 1

Publication

Cycloalkylpyranones and cycloalkyldihydropyrones as HIV protease inhibitors: exploring the impact of ring size on structure-activity relationships.
Romines KR, Morris JK, Howe WJ, Tomich PK, Horng MM, Chong KT, Hinshaw RR, Anderson DJ, Strohbach JW, Turner SR, Mizsak SA.
J Med Chem (1996) 39 : 4125 -4130
PubMed 8831779 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 22 8.19 10.74

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL132739 1 10.74
CHEMBL2111883 1 10.30
CHEMBL129900 1 10.19
CHEMBL415722 1 10.12
CHEMBL130283 1 9.83
CHEMBL133804 1 9.76
CHEMBL335737 1 9.72
CHEMBL336746 1 9.70
CHEMBL335653 1 9.60
CHEMBL132577 1 7.82
CHEMBL275899 1 7.12
CHEMBL297888 1 6.32
CHEMBL337439 1 6.17
CHEMBL292913 1 6.16
CHEMBL1465 PHENPROCOUMON 4.0 1 6.10
CHEMBL57231 1 5.96
CHEMBL423528 1 5.92
CHEMBL133951 1 5.82
CHEMBL16316 1 -
CHEMBL134038 1 -
CHEMBL422614 1 -
CHEMBL132747 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL132739 Ki = 0.018 nM 10.74
CHEMBL2111883 Ki = 0.05 nM 10.30
CHEMBL129900 Ki = 0.065 nM 10.19
CHEMBL415722 Ki = 0.075 nM 10.12
CHEMBL130283 Ki = 0.147 nM 9.83
CHEMBL133804 Ki = 0.175 nM 9.76
CHEMBL335737 Ki = 0.19 nM 9.72
CHEMBL336746 Ki = 0.2 nM 9.70
CHEMBL335653 Ki = 0.25 nM 9.60
CHEMBL132577 Ki = 15.0 nM 7.82
CHEMBL275899 Ki = 75.0 nM 7.12
CHEMBL297888 Ki = 480.0 nM 6.32
CHEMBL337439 Ki = 670.0 nM 6.17
CHEMBL292913 Ki = 700.0 nM 6.16
CHEMBL1465 PHENPROCOUMON Ki = 800.0 nM 6.10
CHEMBL57231 Ki = 1100.0 nM 5.96
CHEMBL423528 Ki = 1200.0 nM 5.92
CHEMBL133951 Ki = 1500.0 nM 5.82
CHEMBL16316 Ki = 0.007 nM -
CHEMBL134038 Ki > 2000.0 nM -
CHEMBL422614 Ki > 1200.0 nM -
CHEMBL132747 Ki > 2000.0 nM -