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Assay Detail

CHEMBL769060

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Binding
Binding affinity for HIV-1 protease enzyme was measured by using fluorescent peptide substrate
48
Total Activities
48
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 Expert

Target

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

Publication

Nonpeptide cyclic cyanoguanidines as HIV-1 protease inhibitors: synthesis, structure-activity relationships, and X-ray crystal structure studies.
Jadhav PK, Woerner FJ, Lam PY, Hodge CN, Eyermann CJ, Man HW, Daneker WF, Bacheler LT, Rayner MM, Meek JL, Erickson-Viitanen S, Jackson DA, Calabrese JC, Schadt M, Chang CH.
J Med Chem (1998) 41 : 1446 -1455
PubMed 9554878 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 48 8.12 9.92

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL35860 1 9.92
CHEMBL284136 1 9.92
CHEMBL285417 1 9.85
CHEMBL223824 MOZENAVIR 2.0 1 9.55
CHEMBL33647 1 9.51
CHEMBL21145 DMP-323 1 9.47
CHEMBL287112 1 9.14
CHEMBL287220 1 8.96
CHEMBL287355 1 8.89
CHEMBL284472 1 8.85
CHEMBL286791 1 8.82
CHEMBL286393 1 8.80
CHEMBL291234 1 8.77
CHEMBL36129 1 8.70
CHEMBL431306 1 8.68
CHEMBL285154 1 8.59
CHEMBL285180 1 8.57
CHEMBL415040 1 8.55
CHEMBL290576 1 8.52
CHEMBL286531 1 8.52
CHEMBL289234 1 8.42
CHEMBL287274 1 8.37
CHEMBL284314 1 8.28
CHEMBL286456 1 8.24
CHEMBL287049 1 8.13
CHEMBL32733 1 8.10
CHEMBL286777 1 7.96
CHEMBL284491 1 7.92
CHEMBL35405 1 7.85
CHEMBL32143 1 7.70

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL35860 Ki = 0.12 nM 9.92
CHEMBL284136 Ki = 0.12 nM 9.92
CHEMBL285417 Ki = 0.14 nM 9.85
CHEMBL223824 MOZENAVIR Ki = 0.28 nM 9.55
CHEMBL33647 Ki = 0.31 nM 9.51
CHEMBL21145 DMP-323 Ki = 0.34 nM 9.47
CHEMBL287112 Ki = 0.72 nM 9.14
CHEMBL287220 Ki = 1.1 nM 8.96
CHEMBL287355 Ki = 1.3 nM 8.89
CHEMBL284472 Ki = 1.4 nM 8.85
CHEMBL286791 Ki = 1.5 nM 8.82
CHEMBL286393 Ki = 1.6 nM 8.80
CHEMBL291234 Ki = 1.7 nM 8.77
CHEMBL36129 Ki = 2.0 nM 8.70
CHEMBL431306 Ki = 2.1 nM 8.68
CHEMBL285154 Ki = 2.6 nM 8.59
CHEMBL285180 Ki = 2.7 nM 8.57
CHEMBL415040 Ki = 2.8 nM 8.55
CHEMBL290576 Ki = 3.0 nM 8.52
CHEMBL286531 Ki = 3.0 nM 8.52
CHEMBL289234 Ki = 3.8 nM 8.42
CHEMBL287274 Ki = 4.3 nM 8.37
CHEMBL284314 Ki = 5.2 nM 8.28
CHEMBL286456 Ki = 5.7 nM 8.24
CHEMBL287049 Ki = 7.4 nM 8.13
CHEMBL32733 Ki = 8.0 nM 8.10
CHEMBL286777 Ki = 11.0 nM 7.96
CHEMBL284491 Ki = 12.0 nM 7.92
CHEMBL35405 Ki = 14.0 nM 7.85
CHEMBL32143 Ki = 20.0 nM 7.70
CHEMBL36118 Ki = 22.0 nM 7.66
CHEMBL33369 Ki = 22.0 nM 7.66
CHEMBL285903 Ki = 25.0 nM 7.60
CHEMBL285498 Ki = 27.0 nM 7.57
CHEMBL34656 Ki = 30.0 nM 7.52
CHEMBL405765 Ki = 32.0 nM 7.50
CHEMBL32828 Ki = 37.0 nM 7.43
CHEMBL286869 Ki = 37.0 nM 7.43
CHEMBL35980 Ki = 52.0 nM 7.28
CHEMBL35901 Ki = 67.0 nM 7.17
CHEMBL286668 Ki = 89.0 nM 7.05
CHEMBL290336 Ki = 128.0 nM 6.89
CHEMBL33829 Ki = 267.0 nM 6.57
CHEMBL35301 Ki = 340.0 nM 6.47
CHEMBL286361 Ki = 542.0 nM 6.27
CHEMBL32884 Ki = 900.0 nM 6.05
CHEMBL284087 Ki = 1370.0 nM 5.86
CHEMBL289024 Ki > 12500.0 nM -