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Assay Detail

CHEMBL763873

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Binding
Tested for inhibition of HIV protease
19
Total Activities
15
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

Structure-based design of HIV protease inhibitors: sulfonamide-containing 5,6-dihydro-4-hydroxy-2-pyrones as non-peptidic inhibitors.
Thaisrivongs S, Skulnick HI, Turner SR, Strohbach JW, Tommasi RA, Johnson PD, Aristoff PA, Judge TM, Gammill RB, Morris JK, Romines KR, Chrusciel RA, Hinshaw RR, Chong KT, Tarpley WG, Poppe SM, Slade DE, Lynn JC, Horng MM, Tomich PK, Seest EP, Dolak LA, Howe WJ, Howard GM, Watenpaugh KD.
J Med Chem (1996) 39 : 4349 -4353
PubMed 8893827 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 19 9.08 10.74

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL2112563 1 10.74
CHEMBL2092978 4 10.52
CHEMBL2111768 2 10.49
CHEMBL2111769 1 10.40
CHEMBL2092977 1 10.00
CHEMBL2111770 1 9.92
CHEMBL20846 1 8.52
CHEMBL326566 1 8.22
CHEMBL21281 1 8.10
CHEMBL115743 1 7.77
CHEMBL137138 1 7.46
CHEMBL22164 1 7.42
CHEMBL1465 PHENPROCOUMON 4.0 1 6.00
CHEMBL2062136 1 -
CHEMBL2112565 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL2112563 Ki = 0.018 nM 10.74
CHEMBL2092978 Ki = 0.03 nM 10.52
CHEMBL2111768 Ki = 0.032 nM 10.49
CHEMBL2111769 Ki = 0.04 nM 10.40
CHEMBL2092978 Ki = 0.06 nM 10.22
CHEMBL2092977 Ki = 0.1 nM 10.00
CHEMBL2092978 Ki = 0.12 nM 9.92
CHEMBL2111770 Ki = 0.12 nM 9.92
CHEMBL2111768 Ki = 0.22 nM 9.66
CHEMBL2092978 Ki = 1.0 nM 9.00
CHEMBL20846 Ki = 3.0 nM 8.52
CHEMBL326566 Ki = 6.0 nM 8.22
CHEMBL21281 Ki = 8.0 nM 8.10
CHEMBL115743 Ki = 17.0 nM 7.77
CHEMBL137138 Ki = 35.0 nM 7.46
CHEMBL22164 Ki = 38.0 nM 7.42
CHEMBL1465 PHENPROCOUMON Ki = 1000.0 nM 6.00
CHEMBL2112565 Ki = 0.007 nM -
CHEMBL2062136 Ki < 1.0 nM -