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ChEMBL ligand: CHEMBL729 (A-157378-0, A-157378.0, ABT-378, Aluviran, Kaletra, Koletra, Lopinavir, Lopinavir-, Lopinavir, (s-(2s,4s,5s))-, Lopinavirum) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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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/154V/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] |
ChEMBL data shown on this page come from version 33:
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
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]