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Assay Detail

CHEMBL763388

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Binding
Inhibition constant against HIV-1 Protease
52
Total Activities
52
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

Relationships between structure and interaction kinetics for HIV-1 protease inhibitors.
Markgren PO, Schaal W, Hämäläinen M, Karlén A, Hallberg A, Samuelsson B, Danielson UH.
J Med Chem (2002) 45 : 5430 -5439
PubMed 12459011 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 52 7.93 10.05

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL127045 1 10.05
CHEMBL358924 1 10.00
CHEMBL150769 1 9.64
CHEMBL114 SAQUINAVIR 4.0 1 9.64
CHEMBL752 ADENOSINE PHOSPHATE 4.0 1 9.64
CHEMBL21145 DMP-323 1 9.57
CHEMBL338428 1 9.52
CHEMBL124139 1 9.52
CHEMBL5483011 INDINAVIR 3.0 1 9.51
CHEMBL105459 1 9.40
CHEMBL584 NELFINAVIR 4.0 1 9.27
CHEMBL340116 1 9.26
CHEMBL163 RITONAVIR 4.0 1 9.23
CHEMBL264040 1 9.22
CHEMBL441167 1 9.10
CHEMBL149472 1 9.04
CHEMBL127214 1 8.92
CHEMBL264815 1 8.85
CHEMBL356895 1 8.85
CHEMBL150907 1 8.68
CHEMBL124093 1 8.64
CHEMBL3350189 1 8.55
CHEMBL340616 1 8.51
CHEMBL357057 1 8.00
CHEMBL130998 1 7.72
CHEMBL345603 1 7.43
CHEMBL149528 1 7.40
CHEMBL337872 1 7.37
CHEMBL150908 1 7.26
CHEMBL133573 1 7.08

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL127045 Ki = 0.09 nM 10.05
CHEMBL358924 Ki = 0.1 nM 10.00
CHEMBL114 SAQUINAVIR Ki = 0.23 nM 9.64
CHEMBL752 ADENOSINE PHOSPHATE Ki = 0.23 nM 9.64
CHEMBL150769 Ki = 0.23 nM 9.64
CHEMBL21145 DMP-323 Ki = 0.27 nM 9.57
CHEMBL338428 Ki = 0.3 nM 9.52
CHEMBL124139 Ki = 0.3 nM 9.52
CHEMBL5483011 INDINAVIR Ki = 0.31 nM 9.51
CHEMBL105459 Ki = 0.4 nM 9.40
CHEMBL584 NELFINAVIR Ki = 0.54 nM 9.27
CHEMBL340116 Ki = 0.55 nM 9.26
CHEMBL163 RITONAVIR Ki = 0.59 nM 9.23
CHEMBL264040 Ki = 0.6 nM 9.22
CHEMBL441167 Ki = 0.8 nM 9.10
CHEMBL149472 Ki = 0.91 nM 9.04
CHEMBL127214 Ki = 1.2 nM 8.92
CHEMBL264815 Ki = 1.4 nM 8.85
CHEMBL356895 Ki = 1.4 nM 8.85
CHEMBL150907 Ki = 2.1 nM 8.68
CHEMBL124093 Ki = 2.3 nM 8.64
CHEMBL3350189 Ki = 2.8 nM 8.55
CHEMBL340616 Ki = 3.1 nM 8.51
CHEMBL357057 Ki = 10.1 nM 8.00
CHEMBL130998 Ki = 19.1 nM 7.72
CHEMBL345603 Ki = 37.0 nM 7.43
CHEMBL149528 Ki = 40.0 nM 7.40
CHEMBL337872 Ki = 43.0 nM 7.37
CHEMBL150908 Ki = 55.0 nM 7.26
CHEMBL133573 Ki = 84.0 nM 7.08
CHEMBL439636 Ki = 93.0 nM 7.03
CHEMBL357785 Ki = 140.0 nM 6.85
CHEMBL357812 Ki = 510.0 nM 6.29
CHEMBL150068 Ki = 530.0 nM 6.28
CHEMBL130426 Ki = 540.0 nM 6.27
CHEMBL348185 Ki = 550.0 nM 6.26
CHEMBL150601 Ki = 570.0 nM 6.24
CHEMBL356015 Ki = 660.0 nM 6.18
CHEMBL149863 Ki = 700.0 nM 6.16
CHEMBL150499 Ki = 710.0 nM 6.15
CHEMBL345997 Ki = 920.0 nM 6.04
CHEMBL358219 Ki = 1400.0 nM 5.85
CHEMBL356225 Ki = 2200.0 nM 5.66
CHEMBL347725 Ki = 2400.0 nM 5.62
CHEMBL356211 Ki = 5000.0 nM 5.30
CHEMBL151335 Ki > 5000.0 nM -
CHEMBL150144 Ki = - nM -
CHEMBL150671 Ki > 5000.0 nM -
CHEMBL124065 Ki > 5000.0 nM -
CHEMBL422671 Ki > 5000.0 nM -