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Assay Detail

CHEMBL800600

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

Binding
Tested for the inhibition of mutant type (Cys181) HIV-1 (IIIB) RT
ChEMBL ↗
47
Total Activities
47
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 reverse transcriptase (CHEMBL247) ↗
Type SINGLE PROTEIN
Organism Human immunodeficiency virus 1

Publication

Phenethylthiazolylthiourea (PETT) compounds as a new class of HIV-1 reverse transcriptase inhibitors. 2. Synthesis and further structure-activity relationship studies of PETT analogs.
Cantrell AS, Engelhardt P, Högberg M, Jaskunas SR, Johansson NG, Jordan CL, Kangasmetsä J, Kinnick MD, Lind P, Morin JM, Muesing MA, Noreén R, Oberg B, Pranc P, Sahlberg C, Ternansky RJ, Vasileff RT, Vrang L, West SJ, Zhang H.
J Med Chem (1996) 39 : 4261 -4274
PubMed 8863804 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 47 6.78 8.40

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL334983 — — 1 8.40
CHEMBL436177 — — 1 8.05
CHEMBL402265 — — 1 8.00
CHEMBL341201 — — 1 8.00
CHEMBL252964 — — 1 7.70
CHEMBL253369 — — 1 7.60
CHEMBL429488 — — 1 7.52
CHEMBL88677 — — 1 7.52
CHEMBL253170 — — 1 7.52
CHEMBL399503 — — 1 7.47
CHEMBL132756 — — 1 7.30
CHEMBL435600 — — 1 7.30
CHEMBL398891 THIOUREA, N-(5-BROMO-2-PYRIDINYL)-N'-(2-(2-CHLORO-3-ETHOXY-6-FLUOROPHENYL)ETHYL)- 2.0 1 7.30
CHEMBL253186 — — 1 7.27
CHEMBL398890 — — 1 7.22
CHEMBL253822 — — 1 7.20
CHEMBL137111 — — 1 7.07
CHEMBL319224 — — 1 7.05
CHEMBL133195 — — 1 7.00
CHEMBL135662 — — 1 7.00
CHEMBL253169 — — 1 7.00
CHEMBL135808 — — 1 6.96
CHEMBL135380 — — 1 6.89
CHEMBL253171 — — 1 6.89
CHEMBL99896 — — 1 6.89
CHEMBL134630 — — 1 6.85
CHEMBL443063 — — 1 6.77
CHEMBL252963 — — 1 6.72
CHEMBL436376 — — 1 6.68
CHEMBL135259 — — 1 6.58

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL334983 — IC50 = 4.0 nM 8.40
CHEMBL436177 — IC50 = 9.0 nM 8.05
CHEMBL341201 — IC50 = 10.0 nM 8.00
CHEMBL402265 — IC50 = 10.0 nM 8.00
CHEMBL252964 — IC50 = 20.0 nM 7.70
CHEMBL253369 — IC50 = 25.0 nM 7.60
CHEMBL429488 — IC50 = 30.0 nM 7.52
CHEMBL88677 — IC50 = 30.0 nM 7.52
CHEMBL253170 — IC50 = 30.0 nM 7.52
CHEMBL399503 — IC50 = 34.0 nM 7.47
CHEMBL132756 — IC50 = 50.0 nM 7.30
CHEMBL435600 — IC50 = 50.0 nM 7.30
CHEMBL398891 THIOUREA, N-(5-BROMO-2-PYRIDINYL)-N'-(2-(2-CHLORO-3-ETHOXY-6-FLUOROPHENYL)ETHYL)- IC50 = 50.0 nM 7.30
CHEMBL253186 — IC50 = 54.0 nM 7.27
CHEMBL398890 — IC50 = 60.0 nM 7.22
CHEMBL253822 — IC50 = 63.0 nM 7.20
CHEMBL137111 — IC50 = 85.0 nM 7.07
CHEMBL319224 — IC50 = 90.0 nM 7.05
CHEMBL133195 — IC50 = 100.0 nM 7.00
CHEMBL135662 — IC50 = 100.0 nM 7.00
CHEMBL253169 — IC50 = 100.0 nM 7.00
CHEMBL135808 — IC50 = 110.0 nM 6.96
CHEMBL99896 — IC50 = 130.0 nM 6.89
CHEMBL253171 — IC50 = 130.0 nM 6.89
CHEMBL135380 — IC50 = 130.0 nM 6.89
CHEMBL134630 — IC50 = 140.0 nM 6.85
CHEMBL443063 — IC50 = 170.0 nM 6.77
CHEMBL252963 — IC50 = 190.0 nM 6.72
CHEMBL436376 — IC50 = 210.0 nM 6.68
CHEMBL135259 — IC50 = 260.0 nM 6.58
CHEMBL103706 — IC50 = 290.0 nM 6.54
CHEMBL116350 — IC50 = 320.0 nM 6.50
CHEMBL398837 — IC50 = 660.0 nM 6.18
CHEMBL254237 — IC50 = 707.0 nM 6.15
CHEMBL135254 — IC50 = 1100.0 nM 5.96
CHEMBL135804 — IC50 = 1100.0 nM 5.96
CHEMBL135179 — IC50 = 1400.0 nM 5.85
CHEMBL135509 — IC50 = 1860.0 nM 5.73
CHEMBL39999 TROVIRDINE IC50 = 2500.0 nM 5.60
CHEMBL133250 — IC50 = 2500.0 nM 5.60
CHEMBL335202 — IC50 = 2600.0 nM 5.58
CHEMBL135760 — IC50 = 7000.0 nM 5.16
CHEMBL268871 L-697661 IC50 = 7700.0 nM 5.11
CHEMBL135235 — IC50 = 13000.0 nM 4.89
CHEMBL400708 — IC50 > 2000.0 nM -
CHEMBL57 NEVIRAPINE IC50 = 201000.0 nM -
CHEMBL317574 — IC50 > 2000.0 nM -