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Assay Detail

CHEMBL689253

Review assay metadata, readout intent, target linkage, and publication context from the same page.

Functional
Potency evaluated against NNRTI-Resistant HIV-1 strain Lys103Asn
11
Total Activities
11
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Functional
Organism Human immunodeficiency virus 1
Confidence 1 — Organism
Curated By Intermediate

Target

Human immunodeficiency virus 1 (CHEMBL378)
Type ORGANISM
Organism Human immunodeficiency virus 1

Publication

Roles of conformational and positional adaptability in structure-based design of TMC125-R165335 (etravirine) and related non-nucleoside reverse transcriptase inhibitors that are highly potent and effective against wild-type and drug-resistant HIV-1 variants.
Das K, Clark AD, Lewi PJ, Heeres J, De Jonge MR, Koymans LM, Vinkers HM, Daeyaert F, Ludovici DW, Kukla MJ, De Corte B, Kavash RW, Ho CY, Ye H, Lichtenstein MA, Andries K, Pauwels R, De Béthune MP, Boyer PL, Clark P, Hughes SH, Janssen PA, Arnold E.
J Med Chem (2004) 47 : 2550 -2560
PubMed 15115397 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
EC50 11 7.13 9.00

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL308954 ETRAVIRINE 4.0 1 9.00
CHEMBL87647 1 8.40
CHEMBL70663 DAPIVIRINE 3.0 1 8.40
CHEMBL223228 EFAVIRENZ 4.0 1 7.41
CHEMBL307297 1 7.39
CHEMBL313405 1 7.20
CHEMBL70967 1 7.10
CHEMBL303457 1 6.23
CHEMBL314060 (R)-LOVIRIDE 1 5.90
CHEMBL593 DELAVIRDINE 4.0 1 5.77
CHEMBL57 NEVIRAPINE 4.0 1 5.61

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL308954 ETRAVIRINE EC50 = 1.0 nM 9.00
CHEMBL87647 EC50 = 4.0 nM 8.40
CHEMBL70663 DAPIVIRINE EC50 = 4.0 nM 8.40
CHEMBL223228 EFAVIRENZ EC50 = 39.0 nM 7.41
CHEMBL307297 EC50 = 41.0 nM 7.39
CHEMBL313405 EC50 = 63.0 nM 7.20
CHEMBL70967 EC50 = 79.0 nM 7.10
CHEMBL303457 EC50 = 589.0 nM 6.23
CHEMBL314060 (R)-LOVIRIDE EC50 = 1260.0 nM 5.90
CHEMBL593 DELAVIRDINE EC50 = 1697.0 nM 5.77
CHEMBL57 NEVIRAPINE EC50 = 2467.0 nM 5.61