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Assay Detail

CHEMBL4043711

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

Binding
Inhibition of HIV1 protease using fluorogenic substrate by continuous fluorometric assay
21
Total Activities
21
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Human immunodeficiency virus 1
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

Unchecked (CHEMBL612545)
Type UNCHECKED

Publication

Design of novel HIV-1 protease inhibitors incorporating isophthalamide-derived P2-P3 ligands: Synthesis, biological evaluation and X-ray structural studies of inhibitor-HIV-1 protease complex.
Ghosh AK, Brindisi M, Nyalapatla PR, Takayama J, Ella-Menye JR, Yashchuk S, Agniswamy J, Wang YF, Aoki M, Amano M, Weber IT, Mitsuya H.
Bioorg Med Chem (2017) 25 : 5114 -5127
PubMed 28434781 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 21 8.93 10.80

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1323 DARUNAVIR 4.0 1 10.80
CHEMBL3683778 1 10.60
CHEMBL3683774 1 9.97
CHEMBL3627879 1 9.68
CHEMBL4072694 1 9.40
CHEMBL4099188 1 9.39
CHEMBL4096744 1 9.31
CHEMBL4092187 1 9.29
CHEMBL4070536 1 9.28
CHEMBL3683757 1 9.20
CHEMBL4069842 1 9.19
CHEMBL4091454 1 9.12
CHEMBL4060650 1 9.10
CHEMBL4081160 1 9.10
CHEMBL4088865 1 8.79
CHEMBL4060839 1 8.60
CHEMBL3683771 1 8.29
CHEMBL4089041 1 7.63
CHEMBL3683777 1 7.51
CHEMBL3683772 1 7.16
CHEMBL3683775 1 6.20

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1323 DARUNAVIR Ki = 0.016 nM 10.80
CHEMBL3683778 Ki = 0.025 nM 10.60
CHEMBL3683774 Ki = 0.107 nM 9.97
CHEMBL3627879 Ki = 0.21 nM 9.68
CHEMBL4072694 Ki = 0.4 nM 9.40
CHEMBL4099188 Ki = 0.41 nM 9.39
CHEMBL4096744 Ki = 0.49 nM 9.31
CHEMBL4092187 Ki = 0.51 nM 9.29
CHEMBL4070536 Ki = 0.53 nM 9.28
CHEMBL3683757 Ki = 0.63 nM 9.20
CHEMBL4069842 Ki = 0.64 nM 9.19
CHEMBL4091454 Ki = 0.76 nM 9.12
CHEMBL4060650 Ki = 0.79 nM 9.10
CHEMBL4081160 Ki = 0.8 nM 9.10
CHEMBL4088865 Ki = 1.61 nM 8.79
CHEMBL4060839 Ki = 2.5 nM 8.60
CHEMBL3683771 Ki = 5.08 nM 8.29
CHEMBL4089041 Ki = 23.6 nM 7.63
CHEMBL3683777 Ki = 30.8 nM 7.51
CHEMBL3683772 Ki = 70.0 nM 7.16
CHEMBL3683775 Ki = 629.0 nM 6.20