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Assay Detail

CHEMBL804269

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Binding
Inhibition of HIV-1 reverse transcriptase.
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 reverse transcriptase (CHEMBL247)
Type SINGLE PROTEIN
Organism Human immunodeficiency virus 1

Publication

Molecular modeling calculations of HIV-1 reverse transcriptase nonnucleoside inhibitors: correlation of binding energy with biological activity for novel 2-aryl-substituted benzimidazole analogues.
Kroeger Smith MB, Hose BM, Hawkins A, Lipchock J, Farnsworth DW, Rizzo RC, Tirado-Rives J, Arnold E, Zhang W, Hughes SH, Jorgensen WL, Michejda CJ, Smith RH.
J Med Chem (2003) 46 : 1940 -1947
PubMed 12723956 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
EC50 22 6.44 7.40

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL58494 1 7.40
CHEMBL57770 1 7.35
CHEMBL292831 1 7.30
CHEMBL56435 1 7.22
CHEMBL58007 1 7.22
CHEMBL292923 1 7.10
CHEMBL59237 1 7.00
CHEMBL294004 1 6.80
CHEMBL292138 1 6.43
CHEMBL61352 1 6.43
CHEMBL291505 1 6.40
CHEMBL293961 1 6.36
CHEMBL58268 1 6.35
CHEMBL293984 1 6.28
CHEMBL58607 1 6.12
CHEMBL418637 1 6.09
CHEMBL59448 1 5.87
CHEMBL58358 1 5.78
CHEMBL58581 1 5.77
CHEMBL294604 1 5.62
CHEMBL58797 1 5.57
CHEMBL57772 1 5.22

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL58494 EC50 = 40.0 nM 7.40
CHEMBL57770 EC50 = 45.0 nM 7.35
CHEMBL292831 EC50 = 50.0 nM 7.30
CHEMBL56435 EC50 = 60.0 nM 7.22
CHEMBL58007 EC50 = 60.0 nM 7.22
CHEMBL292923 EC50 = 80.0 nM 7.10
CHEMBL59237 EC50 = 100.0 nM 7.00
CHEMBL294004 EC50 = 160.0 nM 6.80
CHEMBL292138 EC50 = 370.0 nM 6.43
CHEMBL61352 EC50 = 370.0 nM 6.43
CHEMBL291505 EC50 = 400.0 nM 6.40
CHEMBL293961 EC50 = 440.0 nM 6.36
CHEMBL58268 EC50 = 450.0 nM 6.35
CHEMBL293984 EC50 = 530.0 nM 6.28
CHEMBL58607 EC50 = 750.0 nM 6.12
CHEMBL418637 EC50 = 820.0 nM 6.09
CHEMBL59448 EC50 = 1360.0 nM 5.87
CHEMBL58358 EC50 = 1650.0 nM 5.78
CHEMBL58581 EC50 = 1700.0 nM 5.77
CHEMBL294604 EC50 = 2400.0 nM 5.62
CHEMBL58797 EC50 = 2710.0 nM 5.57
CHEMBL57772 EC50 = 6060.0 nM 5.22