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Assay Detail

CHEMBL765007

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Binding
Binding affinity against HIV-1 protease
ChEMBL ↗
107
Total Activities
107
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

Structure-based design of nonpeptidic HIV protease inhibitors: the sulfonamide-substituted cyclooctylpyramones.
Skulnick HI, Johnson PD, Aristoff PA, Morris JK, Lovasz KD, Howe WJ, Watenpaugh KD, Janakiraman MN, Anderson DJ, Reischer RJ, Schwartz TM, Banitt LS, Tomich PK, Lynn JC, Horng MM, Chong KT, Hinshaw RR, Dolak LA, Seest EP, Schwende FJ, Rush BD, Howard GM, Toth LN, Wilkinson KR, Romines KR.
J Med Chem (1997) 40 : 1149 -1164
PubMed 9089336 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 107 8.42 10.35

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL280303 — — 1 10.35
CHEMBL418171 — — 1 10.10
CHEMBL417449 — — 1 10.07
CHEMBL16511 — — 1 10.00
CHEMBL16368 — — 1 9.70
CHEMBL16536 — — 1 9.40
CHEMBL275888 — — 1 9.40
CHEMBL16856 — — 1 9.30
CHEMBL16431 — — 1 9.22
CHEMBL278916 — — 1 9.22
CHEMBL16422 — — 1 9.15
CHEMBL2062136 — — 1 9.10
CHEMBL16232 — — 1 9.10
CHEMBL16337 — — 1 9.05
CHEMBL276592 — — 1 9.00
CHEMBL279765 — — 1 8.85
CHEMBL16875 — — 1 8.85
CHEMBL16445 — — 1 8.85
CHEMBL280277 — — 1 8.82
CHEMBL278687 — — 1 8.80
CHEMBL16399 — — 1 8.80
CHEMBL16349 — — 1 8.72
CHEMBL418545 — — 1 8.72
CHEMBL15959 — — 1 8.68
CHEMBL274470 — — 1 8.68
CHEMBL16352 — — 1 8.68
CHEMBL278636 — — 1 8.68
CHEMBL16328 — — 1 8.68
CHEMBL16636 — — 1 8.66
CHEMBL16238 — — 1 8.66

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL280303 — Ki = 0.045 nM 10.35
CHEMBL418171 — Ki = 0.08 nM 10.10
CHEMBL417449 — Ki = 0.086 nM 10.07
CHEMBL16511 — Ki = 0.1 nM 10.00
CHEMBL16368 — Ki = 0.2 nM 9.70
CHEMBL16536 — Ki = 0.4 nM 9.40
CHEMBL275888 — Ki = 0.4 nM 9.40
CHEMBL16856 — Ki = 0.5 nM 9.30
CHEMBL278916 — Ki = 0.6 nM 9.22
CHEMBL16431 — Ki = 0.6 nM 9.22
CHEMBL16422 — Ki = 0.7 nM 9.15
CHEMBL16232 — Ki = 0.8 nM 9.10
CHEMBL2062136 — Ki = 0.8 nM 9.10
CHEMBL16337 — Ki = 0.9 nM 9.05
CHEMBL276592 — Ki = 1.0 nM 9.00
CHEMBL16875 — Ki = 1.4 nM 8.85
CHEMBL279765 — Ki = 1.4 nM 8.85
CHEMBL16445 — Ki = 1.4 nM 8.85
CHEMBL280277 — Ki = 1.5 nM 8.82
CHEMBL16399 — Ki = 1.6 nM 8.80
CHEMBL278687 — Ki = 1.6 nM 8.80
CHEMBL16349 — Ki = 1.9 nM 8.72
CHEMBL418545 — Ki = 1.9 nM 8.72
CHEMBL15959 — Ki = 2.1 nM 8.68
CHEMBL16328 — Ki = 2.1 nM 8.68
CHEMBL278636 — Ki = 2.1 nM 8.68
CHEMBL274470 — Ki = 2.1 nM 8.68
CHEMBL16352 — Ki = 2.1 nM 8.68
CHEMBL16238 — Ki = 2.2 nM 8.66
CHEMBL16636 — Ki = 2.2 nM 8.66
CHEMBL16387 — Ki = 2.3 nM 8.64
CHEMBL16234 — Ki = 2.5 nM 8.60
CHEMBL16361 — Ki = 2.6 nM 8.59
CHEMBL16309 — Ki = 2.6 nM 8.59
CHEMBL16551 — Ki = 2.7 nM 8.57
CHEMBL16547 — Ki = 2.7 nM 8.57
CHEMBL280447 — Ki = 2.8 nM 8.55
CHEMBL279192 — Ki = 2.8 nM 8.55
CHEMBL278426 — Ki = 3.0 nM 8.52
CHEMBL16340 — Ki = 3.0 nM 8.52
CHEMBL16316 — Ki = 3.1 nM 8.51
CHEMBL277309 — Ki = 3.1 nM 8.51
CHEMBL16351 — Ki = 3.1 nM 8.51
CHEMBL16400 — Ki = 3.2 nM 8.49
CHEMBL16580 — Ki = 3.2 nM 8.49
CHEMBL16666 — Ki = 3.3 nM 8.48
CHEMBL279580 — Ki = 3.3 nM 8.48
CHEMBL16390 — Ki = 3.5 nM 8.46
CHEMBL16564 — Ki = 3.6 nM 8.44
CHEMBL276318 — Ki = 3.9 nM 8.41