ChEMBL ligand: CHEMBL2063090 (Grazoprevir, Grazoprevir anhydrous, MK-5172, MK-5172 ANHYDROUS)
Genome polyprotein in Hepacivirus C [ChEMBL: CHEMBL4296298] [UniProtKB: K7XJL6] There should be some charts here, you may need to enable JavaScript!
Hepatitis C virus serine protease, NS3/NS4A in Hepatitis C virus [ChEMBL: CHEMBL2095231] [UniProtKB: A3EZI9, D2K2A8] There should be some charts here, you may need to enable JavaScript!
NS3 in Hepatitis C virus [ChEMBL: CHEMBL1293269] [UniProtKB: A3EZJ3] There should be some charts here, you may need to enable JavaScript!
NS3 protease in Hepatitis C virus subtype 1b [ChEMBL: CHEMBL4296325] [UniProtKB: Q0ZMF1] There should be some charts here, you may need to enable JavaScript!

DB	Assay description	Assay Type	Standard value	Standard parameter	Original value	Original units	Original parameter	Reference
Genome polyprotein in Hepacivirus C (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4296298] [UniProtKB: K7XJL6]
ChEMBL	Inhibition of Hepatitis C virus (isolate BK) genotype 1b NS3/4a protease A156V mutant expressed in Escherichia coli by time-resolved fluorescence analysis	B	7.92	pKi	12	nM	Ki	ACS Med Chem Lett (2012) 3: 332-336 [PMID:24900473]
ChEMBL	Inhibition of Hepatitis C virus (isolate BK) genotype 1b NS3/4a protease A156T mutant expressed in Escherichia coli by time-resolved fluorescence analysis	B	8.28	pKi	5.3	nM	Ki	ACS Med Chem Lett (2012) 3: 332-336 [PMID:24900473]
ChEMBL	Inhibition of Hepatitis C virus (isolate BK) genotype 1b NS3/4a protease D168V mutant expressed in Escherichia coli by time-resolved fluorescence analysis	B	9.85	pKi	0.14	nM	Ki	ACS Med Chem Lett (2012) 3: 332-336 [PMID:24900473]
Hepatitis C virus serine protease, NS3/NS4A in Hepatitis C virus (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2095231] [UniProtKB: A3EZI9, D2K2A8]
ChEMBL	Inhibition of HCV GT-3a NS3/4a protease using Ac-DE-D(Edans)-EE-Abu-c-[COO]-AS-K(Dabcy1)-NH2 preincubated for 1 hr followed by substrate addition	B	7.52	pKi	30	nM	Ki	J Med Chem (2021) 64: 11972-11989 [PMID:34405680]
ChEMBL	Inhibition of HCV GT-1a NS3/4a protease using Ac-DE-D(Edans)-EE-Abu-c-[COO]-AS-K(Dabcy1)-NH2 preincubated for 1 hr followed by substrate addition	B	9.7	pKi	0.2	nM	Ki	J Med Chem (2021) 64: 11972-11989 [PMID:34405680]
ChEMBL	Inhibition of Hepatitis C virus (isolate BK) genotype 1b NS3/4a protease R155K mutant expressed in Escherichia coli by time-resolved fluorescence analysis	B	10.15	pKi	0.07	nM	Ki	ACS Med Chem Lett (2012) 3: 332-336 [PMID:24900473]
ChEMBL	Inhibition of HCV NS3/4a protease using Ac-DE-Dap(QXL520)-EE-Abu-shi-[COO]AS-C(5-FAMsp)-NH2 as substrate after 15 mins	B	8.7	pIC50	2	nM	IC50	Eur J Med Chem (2019) 164: 576-601 [PMID:30639895]
ChEMBL	Inhibition of HCV genotype 1b NS3/4A protease R155K mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as substrate incubated for 30 mins prior to substrate addition measured after 2.5 hrs by time-resolved fluorescence assay	B	10.22	pIC50	0.06	nM	IC50	ACS Med Chem Lett (2016) 7: 1173-1178 [PMID:27994759]
ChEMBL	Inhibition of HCV genotype 1b NS3/4A protease R155K mutant using Ac-C(Eu)DDMEEAbu[COO]ASK(QSY7)-amide as substrate preincubated for 30 mins followed by substrate addition measured after 2.5 hrs by TRF assay	B	10.68	pIC50	0.02	nM	IC50	ACS Med Chem Lett (2016) 7: 111-116 [PMID:26819676]
NS3 in Hepatitis C virus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1293269] [UniProtKB: A3EZJ3]
ChEMBL	Inhibition of HCV subtype 1b NS3 protease A156V mutant pre-incubated for 30 mins before TRF peptide substrate addition and measured after 1 hr by time resolved fluorescence assay	B	7.96	pKi	11	nM	Ki	US-20100029666-A1. Macrocyclic Quinoxaline Compounds as HCV NS3 Protease Inhibitors (2010)
ChEMBL	Inhibition of HCV subtype 1b NS3 protease A156T mutant pre-incubated for 30 mins before TRF peptide substrate addition and measured after 1 hr by time resolved fluorescence assay	B	8.28	pKi	5.2	nM	Ki	US-20100029666-A1. Macrocyclic Quinoxaline Compounds as HCV NS3 Protease Inhibitors (2010)
ChEMBL	Inhibition of HCV subtype 1b NS3 protease R155G mutant pre-incubated for 30 mins before TRF peptide substrate addition and measured after 1 hr by time resolved fluorescence assay	B	9.2	pKi	0.63	nM	Ki	US-20100029666-A1. Macrocyclic Quinoxaline Compounds as HCV NS3 Protease Inhibitors (2010)
ChEMBL	Inhibition of HCV subtype 1b NS3 protease R155Q mutant pre-incubated for 30 mins before TRF peptide substrate addition and measured after 1 hr by time resolved fluorescence assay	B	9.37	pKi	0.43	nM	Ki	US-20100029666-A1. Macrocyclic Quinoxaline Compounds as HCV NS3 Protease Inhibitors (2010)
ChEMBL	Inhibition of HCV subtype 1b NS3 protease D168A mutant pre-incubated for 30 mins before TRF peptide substrate addition and measured after 1 hr by time resolved fluorescence assay	B	9.37	pKi	0.43	nM	Ki	US-20100029666-A1. Macrocyclic Quinoxaline Compounds as HCV NS3 Protease Inhibitors (2010)
ChEMBL	Inhibition of HCV subtype 1b NS3 protease D168Y mutant pre-incubated for 30 mins before TRF peptide substrate addition and measured after 1 hr by time resolved fluorescence assay	B	9.66	pKi	0.22	nM	Ki	US-20100029666-A1. Macrocyclic Quinoxaline Compounds as HCV NS3 Protease Inhibitors (2010)
ChEMBL	Inhibition of HCV subtype 1b NS3 protease D168T mutant pre-incubated for 30 mins before TRF peptide substrate addition and measured after 1 hr by time resolved fluorescence assay	B	9.74	pKi	0.18	nM	Ki	US-20100029666-A1. Macrocyclic Quinoxaline Compounds as HCV NS3 Protease Inhibitors (2010)
ChEMBL	Inhibition of HCV subtype 1b NS3 protease D168V mutant pre-incubated for 30 mins before TRF peptide substrate addition and measured after 1 hr by time resolved fluorescence assay	B	9.85	pKi	0.14	nM	Ki	US-20100029666-A1. Macrocyclic Quinoxaline Compounds as HCV NS3 Protease Inhibitors (2010)
ChEMBL	Inhibition of HCV subtype 1b NS3 protease R155N mutant pre-incubated for 30 mins before TRF peptide substrate addition and measured after 1 hr by time resolved fluorescence assay	B	9.89	pKi	0.13	nM	Ki	US-20100029666-A1. Macrocyclic Quinoxaline Compounds as HCV NS3 Protease Inhibitors (2010)
ChEMBL	Inhibition of HCV subtype 1b NS3 protease D168Q mutant pre-incubated for 30 mins before TRF peptide substrate addition and measured after 1 hr by time resolved fluorescence assay	B	9.92	pKi	0.12	nM	Ki	US-20100029666-A1. Macrocyclic Quinoxaline Compounds as HCV NS3 Protease Inhibitors (2010)
ChEMBL	Inhibition of HCV subtype 1b NS3 protease D168G mutant pre-incubated for 30 mins before TRF peptide substrate addition and measured after 1 hr by time resolved fluorescence assay	B	10.1	pKi	0.08	nM	Ki	US-20100029666-A1. Macrocyclic Quinoxaline Compounds as HCV NS3 Protease Inhibitors (2010)
ChEMBL	Inhibition of HCV subtype 1b NS3 protease R155K mutant pre-incubated for 30 mins before TRF peptide substrate addition and measured after 1 hr by time resolved fluorescence assay	B	10.15	pKi	0.07	nM	Ki	US-20100029666-A1. Macrocyclic Quinoxaline Compounds as HCV NS3 Protease Inhibitors (2010)
ChEMBL	Inhibition of HCV subtype 1b NS3 protease A156S mutant pre-incubated for 30 mins before TRF peptide substrate addition and measured after 1 hr by time resolved fluorescence assay	B	10.3	pKi	0.05	nM	Ki	US-20100029666-A1. Macrocyclic Quinoxaline Compounds as HCV NS3 Protease Inhibitors (2010)
ChEMBL	Inhibition of HCV subtype 1b NS3 protease D168E mutant pre-incubated for 30 mins before TRF peptide substrate addition and measured after 1 hr by time resolved fluorescence assay	B	10.4	pKi	0.04	nM	Ki	US-20100029666-A1. Macrocyclic Quinoxaline Compounds as HCV NS3 Protease Inhibitors (2010)
ChEMBL	Inhibition of HCV NS3 protease pre-incubated for 30 mins before TRF peptide substrate addition and measured after 1 hr by time resolved fluorescence assay	B	10.8	pKi	<0.02	nM	Ki	US-20100029666-A1. Macrocyclic Quinoxaline Compounds as HCV NS3 Protease Inhibitors (2010)
NS3 protease in Hepatitis C virus subtype 1b (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4296325] [UniProtKB: Q0ZMF1]
ChEMBL	Inhibition of Hepatitis C virus genotype 1b NS3/4A protease A156V mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as substrate incubated for 30 mins prior to substrate addition by time-resolved fluorescence assay	B	7.92	pIC50	12	nM	IC50	ACS Med Chem Lett (2014) 5: 264-269 [PMID:24900818]
ChEMBL	Inhibition of Hepatitis C virus genotype 1b NS3/4A protease A156T mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as substrate incubated for 30 mins prior to substrate addition by time-resolved fluorescence assay	B	8.28	pIC50	5.3	nM	IC50	ACS Med Chem Lett (2014) 5: 264-269 [PMID:24900818]
ChEMBL	Inhibition of Hepatitis C virus genotype 1b NS3/4A protease D168Y mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as substrate incubated for 30 mins prior to substrate addition by time-resolved fluorescence assay	B	9.85	pIC50	0.14	nM	IC50	ACS Med Chem Lett (2014) 5: 264-269 [PMID:24900818]
ChEMBL	Inhibition of Hepatitis C virus genotype 1b NS3/4A protease R155K mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as substrate incubated for 30 mins prior to substrate addition by time-resolved fluorescence assay	B	10.15	pIC50	0.07	nM	IC50	ACS Med Chem Lett (2014) 5: 264-269 [PMID:24900818]

ChEMBL data shown on this page come from version 34:

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]