ChEMBL ligand: CHEMBL729 (A-157378-0, A-157378.0, ABT-378, Aluviran, Kaletra, Koletra, Lopinavir, Lopinavir-, Lopinavir, (s-(2s,4s,5s))-, Lopinavirum)
ABCG2/ATP-binding cassette sub-family G member 2 in Human [ChEMBL: CHEMBL5393] [GtoPdb: 792] [UniProtKB: Q9UNQ0] There should be some charts here, you may need to enable JavaScript!
CAAX prenyl protease 1 homolog in Mouse [ChEMBL: CHEMBL1075286] [UniProtKB: Q80W54] There should be some charts here, you may need to enable JavaScript!
Kv11.1/HERG in Human [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809] There should be some charts here, you may need to enable JavaScript!
Human immunodeficiency virus type 1 protease in Human immunodeficiency virus 1 [ChEMBL: CHEMBL243] [UniProtKB: Q72874] There should be some charts here, you may need to enable JavaScript!
ABCB1/P-glycoprotein 1 in Human [ChEMBL: CHEMBL4302] [GtoPdb: 768] [UniProtKB: P08183] There should be some charts here, you may need to enable JavaScript!
Plasmodium falciparum plasmepsin V/Plasmepsin V in Plasmodium falciparum 3D7 [ChEMBL: CHEMBL3559649] [GtoPdb: 3106] [UniProtKB: Q8I6Z5] There should be some charts here, you may need to enable JavaScript!
Plasmodium falciparum [ChEMBL: CHEMBL364] There should be some charts here, you may need to enable JavaScript!
Protease in Human immunodeficiency virus 1 [ChEMBL: CHEMBL2366517] [UniProtKB: Q9YQ12] There should be some charts here, you may need to enable JavaScript!
CoV Replicase polyprotein 1ab/CoV RNA-dependent RNA polymerase/CoV Non-structural protein 15/CoV Non-structural protein 13/Replicase polyprotein 1ab in Severe acute respiratory syndrome coronavirus 2 [ChEMBL: CHEMBL4523582] [GtoPdb: 3125, 3139, 3206, 3261] [UniProtKB: P0DTD1] 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
ABCG2/ATP-binding cassette sub-family G member 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5393] [GtoPdb: 792] [UniProtKB: Q9UNQ0]
ChEMBL	Inhibition of human ABCG2 expressed in dog MDCK-II-BCRP cells mediated pheophorbide A efflux preincubated with PhA followed by compound addition and measured after 60 mins by flow cytometry	B	5.12	pIC50	7600	nM	IC50	Eur J Med Chem (2022) 237: 114346-114346 [PMID:35483322]
CAAX prenyl protease 1 homolog in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075286] [UniProtKB: Q80W54]
ChEMBL	Inhibition of mouse ZMPSTE24 expressed n delta ste24 delta rce1 yeast	B	4.74	pIC50	18400	nM	IC50	Proc Natl Acad Sci U S A (2007) 104: 13432-13437 [PMID:17652517]
Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809]
ChEMBL	Inhibition of human ERG	B	5.07	pIC50	8511.38	nM	IC50	Eur J Med Chem (2011) 46: 618-630 [PMID:21185626]
Human immunodeficiency virus type 1 protease in Human immunodeficiency virus 1 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL243] [UniProtKB: Q72874]
ChEMBL	Binding affinity for human immunodeficiency virus type 1 protease	B	10	pKd	0.1	nM	Kd	J Med Chem (2004) 47: 5953-5961 [PMID:15537350]
ChEMBL	Inhibition of HIV1 protease L10I/G48V/I54V/L63P/V82A mutant	B	8.21	pKi	6.1	nM	Ki	J Med Chem (2006) 49: 7342-7356 [PMID:17149864]
ChEMBL	Inhibition of HIV1 recombinant protease V32I/I47A mutant expressed in Escherichia coli by spectrophotometric assay	B	8.62	pKi	2.4	nM	Ki	J Med Chem (2008) 51: 4839-4843 [PMID:18598016]
ChEMBL	Inhibition of HIV1 protease L10I/L63P/A71V/G73S/I84V/L90M mutant	B	9.05	pKi	0.9	nM	Ki	J Med Chem (2006) 49: 7342-7356 [PMID:17149864]
ChEMBL	Inhibition of HIV1 recombinant protease L10F/L19I/K20R/L33F/E35D/M36I/R41K/F53L/I54V/L63P/H69K/A71V/T74P/I84V/L89M/L90M/I93L mutant expressed in Escherichia coli by spectrophotometric assay	B	9.3	pKi	0.5	nM	Ki	J Med Chem (2008) 51: 4839-4843 [PMID:18598016]
ChEMBL	Inhibition of HIV1 recombinant protease L10I/L24I/L33F/M46L/I54V/L63P/A71V/V82A/I84V mutant expressed in Escherichia coli by spectrophotometric assay	B	9.36	pKi	0.44	nM	Ki	J Med Chem (2008) 51: 4839-4843 [PMID:18598016]
ChEMBL	Inhibition constant for human immunodeficiency virus type 1 protease	B	10.1	pKi	0.08	nM	Ki	J Med Chem (2004) 47: 5953-5961 [PMID:15537350]
ChEMBL	Inhibition of HIV1 recombinant protease A71V/V82T/I84V mutant expressed in Escherichia coli by spectrophotometric assay	B	10.22	pKi	0.06	nM	Ki	J Med Chem (2008) 51: 4839-4843 [PMID:18598016]
ChEMBL	Inhibition of HIV1 protease D30N/L63P/N88D mutant	B	10.4	pKi	0.04	nM	Ki	J Med Chem (2006) 49: 7342-7356 [PMID:17149864]
ChEMBL	Inhibition of HIV1 recombinant protease M46I/A71V/V82T/I84V mutant expressed in Escherichia coli by spectrophotometric assay	B	10.54	pKi	0.03	nM	Ki	J Med Chem (2008) 51: 4839-4843 [PMID:18598016]
ChEMBL	Inhibition of HIV1 recombinant protease L10I/I15V/E35D/N37S/R41K/I62V/L63P/A71V/G73S/L90M mutant expressed in Escherichia coli by spectrophotometric assay	B	10.54	pKi	0.03	nM	Ki	J Med Chem (2008) 51: 4839-4843 [PMID:18598016]
ChEMBL	Inhibition of HIV1 recombinant protease D30N/N88D mutant expressed in Escherichia coli by spectrophotometric assay	B	10.59	pKi	0.03	nM	Ki	J Med Chem (2008) 51: 4839-4843 [PMID:18598016]
ChEMBL	Inhibition of HIV1 subtype C protease Q7K mutant expressed in Escherichia coli BL21 (DE3) pLysS using Lys-Ala-Arg-Val-Nle-p-nitro-Phe-Glu-Ala-Nle-NH2 as substrate by spectrophotometry	B	7.6	pIC50	25	nM	IC50	Eur J Med Chem (2011) 46: 3976-3985 [PMID:21741133]
ABCB1/P-glycoprotein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4302] [GtoPdb: 768] [UniProtKB: P08183]
ChEMBL	Inhibition of human MDR1-dependent accumulation of calcein-AM expressed in MDCK2 cells	B	4.99	pIC50	10300	nM	IC50	Antimicrob Agents Chemother (2007) 51: 3498-3504 [PMID:17664327]
ChEMBL	TP_TRANSPORTER: inhibition of Rhodamine 123 efflux in Caco-2 cells	F	5.77	pIC50	1700	nM	IC50	AIDS (2003) 17: 1092-1094 [PMID:12700464]
Plasmodium falciparum plasmepsin V/Plasmepsin V in Plasmodium falciparum 3D7 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3559649] [GtoPdb: 3106] [UniProtKB: Q8I6Z5]
ChEMBL	Inhibition of Plasmodium falciparum DC6 plasmepsin-5 using DABCYL-GNKRTLAQKQG-EDANS as substrate measured every 15 mins of 75 mins by fluorescence assay	B	4.7	pIC50	>20000	nM	IC50	ACS Med Chem Lett (2014) 5: 89-93 [PMID:24900778]
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364]
ChEMBL	Antimalarial activity against Plasmodium falciparum W2 by [3H]hypoxanthine uptake	F	5.57	pIC50	2700	nM	IC50	Eur J Med Chem (2009) 44: 3816-3820 [PMID:19403210]
ChEMBL	DNDI: Malaria in Vitro, 72 hour	F	5.72	pIC50	1920	nM	IC50	Antiprotozoal Activity Profiling of Approved Drugs: A Starting Point toward Drug Repositioning
ChEMBL	Antimicrobial activity against Plasmodium falciparum harboring HFP-tagged Pfs16 protein after 48 hrs	F	5.52	pEC50	3000	nM	EC50	Antimicrob Agents Chemother (2010) 54: 1334-1337 [PMID:20028821]
ChEMBL	Antimicrobial activity against chloroquine-sensitive Plasmodium falciparum D10 after 48 hrs	F	5.7	pEC50	2000	nM	EC50	Antimicrob Agents Chemother (2010) 54: 1334-1337 [PMID:20028821]
ChEMBL	Antimicrobial activity against chloroquine-sensitive Plasmodium falciparum 3D7 after 48 hrs	F	5.7	pEC50	2000	nM	EC50	Antimicrob Agents Chemother (2010) 54: 1334-1337 [PMID:20028821]
Protease in Human immunodeficiency virus 1 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2366517] [UniProtKB: Q9YQ12]
ChEMBL	Binding affinity to HIV1 protease I47A mutant	B	8.96	pKd	1.1	nM	Kd	J Med Chem (2016) 59: 4171-4188 [PMID:26356253]
ChEMBL	Inhibition of HIV1 protease expressed in Escherichia coli by fluorometric assay	B	8.85	pKi	1.4	nM	Ki	J Med Chem (2010) 53: 607-615 [PMID:19961222]
ChEMBL	Inhibition of HIV1 NL4-3 protease I50V/A71V mutant expressed in Escherichia coli TAP-106 cells using EDANS/DABCYL-labelled 10-amino acid containing protease cleavage site as substrate preincubated for 1 hr followed by substrate addition and measured for 60 mins by FRET assay	B	10.21	pKi	0.06	nM	Ki	J Med Chem (2020) 63: 8296-8313 [PMID:32672965]
ChEMBL	Inhibition of HIV1 NL4-3 protease I84V mutant expressed in Escherichia coli TAP-106 cells using EDANS/DABCYL-labelled 10-amino acid containing protease cleavage site as substrate preincubated for 1 hr followed by substrate addition and measured for 60 mins by FRET assay	B	10.29	pKi	0.05	nM	Ki	J Med Chem (2020) 63: 8296-8313 [PMID:32672965]
ChEMBL	Inhibition of HIV1 protease using fluorogenic hexapeptide substrate (2-aminobenzoyl)Thr-Ile-Nle-(p-nitro)Phe-Gln-Arg by fluorimeter	B	10.43	pKi	0.04	nM	Ki	Medchemcomm (2011) 2: 1093-1098
ChEMBL	Inhibition of wild-type HIV1 BH10 protease expressed in Escherichia coli by spectrophotometric assay	B	10.74	pKi	0.02	nM	Ki	J Med Chem (2008) 51: 4839-4843 [PMID:18598016]
ChEMBL	Inhibition of HIV1 protease	B	10.8	pKi	0.02	nM	Ki	Bioorg Med Chem (2008) 16: 1299-1308 [PMID:17981045]
ChEMBL	Inhibition of HIV1 protease	B	10.85	pKi	0.01	nM	Ki	Antimicrob Agents Chemother (2007) 51: 4036-4043 [PMID:17638694]
ChEMBL	Inhibition of HIV1 subtype C protease expressed in Escherichia coli BL21 assessed as hydrolysis of substrate using chromogenic substrate Lys-Ala-Arg-Val-Nle-p-nitro-Phe-Glu-Ala-Nle-NH2 by spectrophotometric analysis	B	7.6	pIC50	25	nM	IC50	Bioorg Med Chem Lett (2011) 21: 2274-2277 [PMID:21429747]
ChEMBL	Inhibition of South African HIV1 subtype C protease expressed in Escherichia coli BL21S4 (DE3)pLysS cells using Lys-Ala-Arg-Val-Nle-p-nitro-Phe-Glu-Ala-Nle-NH2 as substrate by spectrophotometry	B	7.6	pIC50	25	nM	IC50	Eur J Med Chem (2012) 53: 13-21 [PMID:22542107]
ChEMBL	Inhibition of wild type C-South African Human immunodeficiency virus 1 protease using chromogenic peptide H-1048 as substrate by UV spectrophotometric analysis	B	7.6	pIC50	25	nM	IC50	Med Chem Res (2013) 22: 3918-3933
ChEMBL	Inhibition of HIV-1 NL4-3 wild type protease expressed in Escherichia coli preincubated for 20 mins by FRET analysis	B	8.6	pIC50	2.5	nM	IC50	Bioorg Med Chem (2013) 21: 7430-7434 [PMID:24128815]
ChEMBL	Inhibition of protease L10F/V32I/M46I/I47V/Q58E/I84V mutant in HIV1 A17 infected in human MT4 cells assessed as reduction in virus-induced cytopathic effect after 5 days by MTT assay	B	5.94	pEC50	1160	nM	EC50	J Med Chem (2018) 61: 5138-5153 [PMID:29852069]
CoV Replicase polyprotein 1ab/CoV RNA-dependent RNA polymerase/CoV Non-structural protein 15/CoV Non-structural protein 13/Replicase polyprotein 1ab in Severe acute respiratory syndrome coronavirus 2 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523582] [GtoPdb: 3125, 3139, 3206, 3261] [UniProtKB: P0DTD1]
ChEMBL	Inhibition of SARS-CoV-2 MPro	B	4.7	pIC50	>20000	nM	IC50	Bioorg Med Chem (2021) 29: 115860-115860 [PMID:33191083]
ChEMBL	Inhibition of SARS-CoV-2 main protease	B	5.04	pIC50	9120	nM	IC50	Eur J Med Chem (2020) 201: 112559-112559 [PMID:32563814]

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]