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Assay Detail

CHEMBL4052390

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Binding
Inhibition of HIV1 RES056 reverse transcriptase K103N/Y181C double mutant infected in human MT4 cells assessed as protection against virus induced cytotoxicity after 5 days by MTT assay
ChEMBL ↗
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 6.78 8.26

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4094163 — — 1 8.26
CHEMBL4101895 — — 1 8.12
CHEMBL4066621 — — 1 8.10
CHEMBL129 ZIDOVUDINE 4.0 1 7.96
CHEMBL4059713 — — 1 7.90
CHEMBL308954 ETRAVIRINE 4.0 1 7.77
CHEMBL4088003 — — 1 7.53
CHEMBL3929927 — — 1 7.51
CHEMBL4084357 — — 1 7.43
CHEMBL4062507 — — 1 7.41
CHEMBL4090492 — — 1 7.37
CHEMBL4075243 — — 1 7.36
CHEMBL4090441 — — 1 7.22
CHEMBL4067573 — — 1 6.96
CHEMBL4060732 — — 1 6.94
CHEMBL4080133 — — 1 6.91
CHEMBL4096564 — — 1 6.90
CHEMBL4101836 — — 1 6.90
CHEMBL4069411 — — 1 6.84
CHEMBL4078474 — — 1 6.83
CHEMBL4094095 — — 1 6.81
CHEMBL4078540 — — 1 6.78
CHEMBL4102745 — — 1 6.78
CHEMBL4083835 — — 1 6.75
CHEMBL4104988 — — 1 6.72
CHEMBL4076005 — — 1 6.71
CHEMBL4077355 — — 1 6.67
CHEMBL223228 EFAVIRENZ 4.0 1 6.51
CHEMBL4082607 — — 1 6.50
CHEMBL4086331 — — 1 6.46

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4094163 — EC50 = 5.5 nM 8.26
CHEMBL4101895 — EC50 = 7.62 nM 8.12
CHEMBL4066621 — EC50 = 7.93 nM 8.10
CHEMBL129 ZIDOVUDINE EC50 = 11.1 nM 7.96
CHEMBL4059713 — EC50 = 12.5 nM 7.90
CHEMBL308954 ETRAVIRINE EC50 = 17.0 nM 7.77
CHEMBL4088003 — EC50 = 29.4 nM 7.53
CHEMBL3929927 — EC50 = 30.6 nM 7.51
CHEMBL4084357 — EC50 = 37.2 nM 7.43
CHEMBL4062507 — EC50 = 38.7 nM 7.41
CHEMBL4090492 — EC50 = 42.3 nM 7.37
CHEMBL4075243 — EC50 = 43.8 nM 7.36
CHEMBL4090441 — EC50 = 59.7 nM 7.22
CHEMBL4067573 — EC50 = 111.0 nM 6.96
CHEMBL4060732 — EC50 = 115.0 nM 6.94
CHEMBL4080133 — EC50 = 122.0 nM 6.91
CHEMBL4096564 — EC50 = 125.0 nM 6.90
CHEMBL4101836 — EC50 = 126.0 nM 6.90
CHEMBL4069411 — EC50 = 146.0 nM 6.84
CHEMBL4078474 — EC50 = 148.0 nM 6.83
CHEMBL4094095 — EC50 = 154.0 nM 6.81
CHEMBL4078540 — EC50 = 165.0 nM 6.78
CHEMBL4102745 — EC50 = 165.0 nM 6.78
CHEMBL4083835 — EC50 = 177.0 nM 6.75
CHEMBL4104988 — EC50 = 189.0 nM 6.72
CHEMBL4076005 — EC50 = 195.0 nM 6.71
CHEMBL4077355 — EC50 = 216.0 nM 6.67
CHEMBL223228 EFAVIRENZ EC50 = 308.0 nM 6.51
CHEMBL4082607 — EC50 = 319.0 nM 6.50
CHEMBL4086331 — EC50 = 351.0 nM 6.46
CHEMBL4094991 — EC50 = 829.0 nM 6.08
CHEMBL4093101 — EC50 = 3880.0 nM 5.41
CHEMBL4085465 — EC50 = 4690.0 nM 5.33
CHEMBL4065430 — EC50 = 5910.0 nM 5.23
CHEMBL4063892 — EC50 = 14200.0 nM 4.85
CHEMBL4093229 — EC50 = 15300.0 nM 4.82
CHEMBL4072495 — EC50 = 40900.0 nM 4.39
CHEMBL4079259 — EC50 > 5150.0 nM -
CHEMBL4097283 — EC50 > 707.0 nM -
CHEMBL4061608 — EC50 > 20100.0 nM -
CHEMBL4089725 — EC50 > 2770.0 nM -
CHEMBL4095529 — EC50 > 3450.0 nM -
CHEMBL4075094 — EC50 > 2980.0 nM -
CHEMBL4103275 — EC50 > 75200.0 nM -
CHEMBL4085345 — EC50 >= 54400.0 nM -
CHEMBL4074049 — EC50 > 3690.0 nM -
CHEMBL4100811 — EC50 > 19500.0 nM -
CHEMBL4089717 — EC50 > 1170.0 nM -
CHEMBL4061597 — EC50 > 27600.0 nM -
CHEMBL4062672 — EC50 >= 918.0 nM -