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Assay Detail

CHEMBL4393749

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Binding
Inhibition of HIV1 reverse transcriptase
22
Total Activities
20
Compounds Tested
3
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Human immunodeficiency virus 1
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Human immunodeficiency virus type 1 reverse transcriptase (CHEMBL247)
Type SINGLE PROTEIN
Organism Human immunodeficiency virus 1

Publication

The Journey of HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitors (NNRTIs) from Lab to Clinic.
Namasivayam V, Vanangamudi M, Kramer VG, Kurup S, Zhan P, Liu X, Kongsted J, Byrareddy SN.
J Med Chem (2019) 62 : 4851 -4883
PubMed 30516990 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC90 11 - -
IC50 10 7.00 8.22
Ki 1 8.53 8.53

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL223228 EFAVIRENZ 4.0 3 8.53
CHEMBL3753096 1 8.22
CHEMBL309896 1 7.92
CHEMBL311996 1 7.63
CHEMBL4436313 1 7.34
CHEMBL4483481 1 7.25
CHEMBL4529500 1 7.09
CHEMBL3753006 1 6.10
CHEMBL3754170 1 6.02
CHEMBL311050 1 5.03
CHEMBL4560835 1 -
CHEMBL3752646 1 -
CHEMBL102668 1 -
CHEMBL273285 1 -
CHEMBL318000 1 -
CHEMBL101024 1 -
CHEMBL330659 1 -
CHEMBL103395 1 -
CHEMBL101881 1 -
CHEMBL100518 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL223228 EFAVIRENZ Ki = 2.93 nM 8.53
CHEMBL3753096 IC50 = 6.0 nM 8.22
CHEMBL309896 IC50 = 12.0 nM 7.92
CHEMBL311996 IC50 = 23.2 nM 7.63
CHEMBL223228 EFAVIRENZ IC50 = 38.0 nM 7.42
CHEMBL4436313 IC50 = 46.0 nM 7.34
CHEMBL4483481 IC50 = 56.0 nM 7.25
CHEMBL4529500 IC50 = 82.0 nM 7.09
CHEMBL3753006 IC50 = 800.0 nM 6.10
CHEMBL3754170 IC50 = 950.0 nM 6.02
CHEMBL311050 IC50 = 9300.0 nM 5.03
CHEMBL4560835 IC90 = 279.09 nM -
CHEMBL223228 EFAVIRENZ IC90 = 1.7 nM -
CHEMBL3752646 IC90 = 295.6 nM -
CHEMBL100518 IC90 = 9.02 nM -
CHEMBL102668 IC90 = 2.0 nM -
CHEMBL273285 IC90 = 7.11 nM -
CHEMBL318000 IC90 = 7.35 nM -
CHEMBL101024 IC90 = 10.31 nM -
CHEMBL330659 IC90 = 18.89 nM -
CHEMBL103395 IC90 = 20.59 nM -
CHEMBL101881 IC90 = 8.33 nM -