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Assay Detail

CHEMBL4052392

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

Binding
Inhibition of HIV1 3B reverse transcriptase F227L/V106A double mutant infected in human MT4 cells assessed as protection against virus induced cytotoxicity after 5 days by MTT assay
51
Total Activities
51
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 Autocuration

Target

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

Publication

Structure-Based Optimization of Thiophene[3,2-d]pyrimidine Derivatives as Potent HIV-1 Non-nucleoside Reverse Transcriptase Inhibitors with Improved Potency against Resistance-Associated Variants.
Kang D, Fang Z, Huang B, Lu X, Zhang H, Xu H, Huo Z, Zhou Z, Yu Z, Meng Q, Wu G, Ding X, Tian Y, Daelemans D, De Clercq E, Pannecouque C, Zhan P, Liu X.
J Med Chem (2017) 60 : 4424 -4443
PubMed 28481112 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
EC50 51 7.23 8.57

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4094163 1 8.57
CHEMBL3929927 1 8.37
CHEMBL4066621 1 8.33
CHEMBL129 ZIDOVUDINE 4.0 1 8.32
CHEMBL4059713 1 8.23
CHEMBL4075243 1 8.10
CHEMBL4084357 1 8.06
CHEMBL4090492 1 8.06
CHEMBL4062507 1 8.05
CHEMBL4101895 1 7.97
CHEMBL4088003 1 7.83
CHEMBL4090441 1 7.64
CHEMBL4085465 1 7.60
CHEMBL4060732 1 7.58
CHEMBL4080133 1 7.57
CHEMBL308954 ETRAVIRINE 4.0 1 7.53
CHEMBL4104988 1 7.49
CHEMBL4082607 1 7.42
CHEMBL4083835 1 7.39
CHEMBL4101836 1 7.25
CHEMBL4094991 1 7.21
CHEMBL4078474 1 7.17
CHEMBL4102745 1 7.14
CHEMBL4078540 1 7.07
CHEMBL4086331 1 7.05
CHEMBL4077355 1 7.03
CHEMBL4096564 1 6.99
CHEMBL4067573 1 6.97
CHEMBL4076005 1 6.97
CHEMBL4069411 1 6.89

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4094163 EC50 = 2.7 nM 8.57
CHEMBL3929927 EC50 = 4.25 nM 8.37
CHEMBL4066621 EC50 = 4.67 nM 8.33
CHEMBL129 ZIDOVUDINE EC50 = 4.79 nM 8.32
CHEMBL4059713 EC50 = 5.82 nM 8.23
CHEMBL4075243 EC50 = 7.89 nM 8.10
CHEMBL4084357 EC50 = 8.73 nM 8.06
CHEMBL4090492 EC50 = 8.68 nM 8.06
CHEMBL4062507 EC50 = 8.85 nM 8.05
CHEMBL4101895 EC50 = 10.8 nM 7.97
CHEMBL4088003 EC50 = 14.8 nM 7.83
CHEMBL4090441 EC50 = 22.7 nM 7.64
CHEMBL4085465 EC50 = 25.2 nM 7.60
CHEMBL4060732 EC50 = 26.3 nM 7.58
CHEMBL4080133 EC50 = 26.7 nM 7.57
CHEMBL308954 ETRAVIRINE EC50 = 29.4 nM 7.53
CHEMBL4104988 EC50 = 32.4 nM 7.49
CHEMBL4082607 EC50 = 37.8 nM 7.42
CHEMBL4083835 EC50 = 40.6 nM 7.39
CHEMBL4101836 EC50 = 56.9 nM 7.25
CHEMBL4094991 EC50 = 61.4 nM 7.21
CHEMBL4078474 EC50 = 68.3 nM 7.17
CHEMBL4102745 EC50 = 72.3 nM 7.14
CHEMBL4078540 EC50 = 85.2 nM 7.07
CHEMBL4086331 EC50 = 89.5 nM 7.05
CHEMBL4077355 EC50 = 93.6 nM 7.03
CHEMBL4096564 EC50 = 103.0 nM 6.99
CHEMBL4067573 EC50 = 106.0 nM 6.97
CHEMBL4076005 EC50 = 108.0 nM 6.97
CHEMBL4069411 EC50 = 129.0 nM 6.89
CHEMBL4094095 EC50 = 161.0 nM 6.79
CHEMBL4093229 EC50 = 263.0 nM 6.58
CHEMBL223228 EFAVIRENZ EC50 = 348.0 nM 6.46
CHEMBL4085345 EC50 = 646.0 nM 6.19
CHEMBL4075094 EC50 = 1050.0 nM 5.98
CHEMBL4062672 EC50 = 1270.0 nM 5.90
CHEMBL4061597 EC50 = 2530.0 nM 5.60
CHEMBL4072495 EC50 = 3680.0 nM 5.43
CHEMBL4100811 EC50 = 5000.0 nM 5.30
CHEMBL4063892 EC50 > 4930.0 nM -
CHEMBL4095529 EC50 > 3450.0 nM -
CHEMBL4089725 EC50 > 2770.0 nM -
CHEMBL4079259 EC50 > 5150.0 nM -
CHEMBL4061608 EC50 > 20100.0 nM -
CHEMBL4093101 EC50 >= 4160.0 nM -
CHEMBL57 NEVIRAPINE EC50 > 15000.0 nM -
CHEMBL4065430 EC50 >= 5260.0 nM -
CHEMBL4074049 EC50 > 3690.0 nM -
CHEMBL4097283 EC50 > 707.0 nM -
CHEMBL4089717 EC50 > 1170.0 nM -