Compound name
BI-1388
Protein family
Protease
Target name
HCV NS3-NS4A
Affinity biochemical (nM)
0.48
Affinity on-target cellular (nM)
0.11
CG-Set
Protease set
Recommended Concentration
100 nM
Compound EUbOPEN ID
EUB0001708a
SMILES
COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6(C)CC6)CC5/C=C\CCCCC[C@H](NC(=O)c5ccn(C)n5)C(=O)N4C3)cc(OC(C)C)nc2c1C
InChIKey
WSEPMWSQALXHKW-MRAROMNFSA-N
Mode of action
Inhibitor
Affinity biochemical definition
IC50
Affinity biochemical assay type
Biochemical assay (using fluorogenic depsipeptide NS3 protease substrate, full-length NS3-NS4A protein, genotyp 1a)
Affinity Biochemical Source Knowledge
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3581377/
Affinity biochemical relation
=
Affinity on-target cellular definition
EC50
Affinity on-target cellular assay type
HCV RNA replication Luciferase reporter assay (using Huh-7.5 cells expressing HCV NS3-NS4A wt, genotype 1a)
Affinity on-target cellular source knowledge
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3581377/
Affinity on-target cellular relation
=
Selectivity platform
SafetyScreen44™ (Eurofins)
Selectivity platform number of targets
44
Selectivity remarks
Screened at 10 µM against a panel of ion channels, GPCRs, hydrolases, and other enzymes, closest target as % of contr.: PDE4D2 (53%), full screening data available on OpenMe website, https://www.opnme.com/molecules/hcv-protease-bi-1388;
Selectivity Source Knowledge
https://www.opnme.com/molecules/hcv-protease-bi-1388
Selectivity Number of Off-targets
0