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Assay Detail

CHEMBL1103684

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Binding
Inhibition of HIV reverse transcriptase
ChEMBL ↗
70
Total Activities
69
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Human immunodeficiency virus
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

Unchecked (CHEMBL612545) ↗
Type UNCHECKED

Publication

MIA-QSAR coupled to principal component analysis-adaptive neuro-fuzzy inference systems (PCA-ANFIS) for the modeling of the anti-HIV reverse transcriptase activities of TIBO derivatives.
Goodarzi M, Freitas MP.
Eur J Med Chem (2010) 45 : 1352 -1358
PubMed 20060625 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 70 5.98 8.52

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL354989 — — 1 8.52
CHEMBL58711 TIVIRAPINE 2.0 1 8.30
CHEMBL58119 — — 1 8.24
CHEMBL66155 — — 1 7.92
CHEMBL59279 — — 1 7.87
CHEMBL304294 — — 1 7.64
CHEMBL293814 — — 1 7.59
CHEMBL1098620 — — 1 7.58
CHEMBL58811 — — 1 7.53
CHEMBL483280 — — 1 7.47
CHEMBL433931 — — 1 7.47
CHEMBL1095910 — — 1 7.38
CHEMBL293498 — — 1 7.37
CHEMBL46961 — — 2 7.36
CHEMBL420367 — — 1 7.34
CHEMBL58952 — — 1 7.32
CHEMBL352425 — — 1 7.32
CHEMBL58506 — — 1 7.25
CHEMBL487502 — — 1 7.22
CHEMBL65881 — — 1 7.11
CHEMBL167851 — — 1 7.06
CHEMBL420740 — — 1 6.84
CHEMBL69674 — — 1 6.79
CHEMBL307994 — — 1 6.79
CHEMBL82396 — — 1 6.74
CHEMBL58453 — — 1 6.73
CHEMBL165976 — — 1 6.64
CHEMBL298626 — — 1 6.36
CHEMBL164075 — — 1 6.32
CHEMBL308222 — — 1 6.17

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL354989 — IC50 = 3.02 nM 8.52
CHEMBL58711 TIVIRAPINE IC50 = 5.012 nM 8.30
CHEMBL58119 — IC50 = 5.754 nM 8.24
CHEMBL66155 — IC50 = 12.02 nM 7.92
CHEMBL59279 — IC50 = 13.49 nM 7.87
CHEMBL304294 — IC50 = 22.91 nM 7.64
CHEMBL293814 — IC50 = 25.7 nM 7.59
CHEMBL1098620 — IC50 = 26.3 nM 7.58
CHEMBL58811 — IC50 = 29.51 nM 7.53
CHEMBL433931 — IC50 = 33.88 nM 7.47
CHEMBL483280 — IC50 = 33.88 nM 7.47
CHEMBL1095910 — IC50 = 41.69 nM 7.38
CHEMBL293498 — IC50 = 42.66 nM 7.37
CHEMBL46961 — IC50 = 43.65 nM 7.36
CHEMBL420367 — IC50 = 45.71 nM 7.34
CHEMBL352425 — IC50 = 47.86 nM 7.32
CHEMBL58952 — IC50 = 47.86 nM 7.32
CHEMBL58506 — IC50 = 56.23 nM 7.25
CHEMBL487502 — IC50 = 60.26 nM 7.22
CHEMBL65881 — IC50 = 77.62 nM 7.11
CHEMBL167851 — IC50 = 87.1 nM 7.06
CHEMBL46961 — IC50 = 97.72 nM 7.01
CHEMBL420740 — IC50 = 144.54 nM 6.84
CHEMBL307994 — IC50 = 162.18 nM 6.79
CHEMBL69674 — IC50 = 162.18 nM 6.79
CHEMBL82396 — IC50 = 181.97 nM 6.74
CHEMBL58453 — IC50 = 186.21 nM 6.73
CHEMBL165976 — IC50 = 229.09 nM 6.64
CHEMBL298626 — IC50 = 436.52 nM 6.36
CHEMBL164075 — IC50 = 478.63 nM 6.32
CHEMBL308222 — IC50 = 676.08 nM 6.17
CHEMBL58493 — IC50 = 1000.0 nM 6.00
CHEMBL432516 — IC50 = 1071.52 nM 5.97
CHEMBL293271 — IC50 = 1148.15 nM 5.94
CHEMBL1097621 — IC50 = 1148.15 nM 5.94
CHEMBL67451 — IC50 = 1659.59 nM 5.78
CHEMBL353913 — IC50 = 1995.26 nM 5.70
CHEMBL66704 — IC50 = 2187.76 nM 5.66
CHEMBL1097949 — IC50 = 2238.72 nM 5.65
CHEMBL65800 — IC50 = 2454.71 nM 5.61
CHEMBL292197 — IC50 = 3311.31 nM 5.48
CHEMBL482872 — IC50 = 3801.89 nM 5.42
CHEMBL353297 — IC50 = 4677.35 nM 5.33
CHEMBL352951 — IC50 = 5011.87 nM 5.30
CHEMBL166769 — IC50 = 6606.93 nM 5.18
CHEMBL1097196 — IC50 = 10000.0 nM 5.00
CHEMBL1094318 — IC50 = 10000.0 nM 5.00
CHEMBL1096921 — IC50 = 10000.0 nM 5.00
CHEMBL69517 — IC50 = 12022.64 nM 4.92
CHEMBL69775 — IC50 = 12589.25 nM 4.90