Compound name
BI-1230
Protein family
Protease
Target name
HCV:NS3
Affinity biochemical (nM)
6.7
Affinity on-target cellular (nM)
1.8
CG-Set
Protease set
Recommended Concentration
100 nM
Compound EUbOPEN ID
EUB0001182a
SMILES
CC(C(Nc1scc(c(cc2O[C@@H]3C[C@H]4C(N[C@]5(C(O)=O)CC5/C=C/CCCCC[C@H](NC(OC6CCCC6)=O)C(N4C3)=O)=O)nc7c2ccc(OC)c7C)n1)=O)C
InChIKey
YQCVJBZPFAJZFJ-DVUQJCTJSA-N
UniProt ID
P26662
Mode of action
Inhibitor
Negative control
BI-1675
Affinity biochemical definition
IC50
Affinity biochemical assay type
Enzymatic assay (using a NS3-NS4A heterodimer and a fluorogenic substrate)
Affinity Biochemical Source Knowledge
https://www.sgc-ffm.uni-frankfurt.de/#!specificprobeoverview/BI-1230
Affinity biochemical relation
0
Affinity on-target cellular definition
EC50
Affinity on-target cellular assay type
HCVPV RNA replication Luciferase reporter assay (genotype 1b, Huh-7 cells, 3-day incubation)
Affinity on-target cellular source knowledge
https://pubs.acs.org/doi/full/10.1021/ol303498m
Affinity on-target cellular relation
<
Selectivity platform
Cerep panel (Eurofins)
Selectivity platform number of targets
6
Selectivity remarks
Screened at 10 µM against 6 human serine proteases, closest target as % inhibition: CTSG (63%), estimated IC50 = 6 µM; Clean Eurofins-Cerep panel for non-serine proteases tested at 10 µM; Screened at 1 µM against 468 kinases (KinomeScan, DiscoverX), closest targets as % of control: STK38L (43%), MELK (44%); Screened at 10 µM against 45 GPCRs (PDSP panel), in-vitro potencies of closest targets: Ki(ADRA2C) = 3.29 µM, Ki(ADRB3) = 3.62 µM, Ki(ADRA2B) = 4.49 µM
Selectivity Source Knowledge
https://www.sgc-ffm.uni-frankfurt.de/chemProbes#!specificprobeoverview/BI-1230
Selectivity Number of Off-targets
0