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ChEMBL ligand: CHEMBL1163 (Atazanavir, BMS-232632, CGP-73547, Reyataz) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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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 | 9.4 | pKd | 0.4 | nM | Kd | J Med Chem (2004) 47: 5953-5961 [PMID:15537350] |
ChEMBL | Inhibition of HIV1 recombinant protease L10I/L24I/L33F/M46L/154V/L63P/A71V/V82A/I84V mutant expressed in Escherichia coli by spectrophotometric assay | B | 8.92 | pKi | 1.2 | nM | Ki | J Med Chem (2008) 51: 4839-4843 [PMID:18598016] |
ChEMBL | Inhibition of HIV1 recombinant protease M46I/A71V/V82T/I84V mutant expressed in Escherichia coli by spectrophotometric assay | B | 9.12 | pKi | 0.76 | nM | Ki | J Med Chem (2008) 51: 4839-4843 [PMID:18598016] |
ChEMBL | Inhibition constant for human immunodeficiency virus type 1 protease | B | 9.62 | pKi | 0.24 | 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 | 9.64 | pKi | 0.23 | nM | Ki | J Med Chem (2008) 51: 4839-4843 [PMID:18598016] |
ChEMBL | Inhibition of HIV1 recombinant protease V32I/I47A mutant expressed in Escherichia coli by spectrophotometric assay | B | 9.77 | pKi | 0.17 | 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 | 10.12 | pKi | 0.08 | 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 | 10.26 | pKi | 0.06 | nM | Ki | J Med Chem (2008) 51: 4839-4843 [PMID:18598016] |
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 | 10.27 | pKi | 0.05 | 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 | 8.4 | pIC50 | 4 | nM | IC50 | Eur J Med Chem (2011) 46: 3976-3985 [PMID:21741133] |
Human immunodeficiency virus type 1 reverse transcriptase in Human immunodeficiency virus 1 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL247] [UniProtKB: Q72547] | ||||||||
ChEMBL | The percent reduction of the reverse transcriptase (RT) activity in HIV-1/MN-infected MT-2 cells. | B | 7.59 | pIC50 | 26 | nM | IC50 | J Med Chem (1998) 41: 3387-3401 [PMID:9719591] |
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 | 4.17 | pIC50 | 67800 | nM | IC50 | Antimicrob Agents Chemother (2007) 51: 3498-3504 [PMID:17664327] |
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
ChEMBL | DNDI: Malaria in Vitro, 72 hour | F | 5.1 | pIC50 | 7950 | nM | IC50 | Antiprotozoal Activity Profiling of Approved Drugs: A Starting Point toward Drug Repositioning |
Protease in Human immunodeficiency virus 1 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2366517] [UniProtKB: Q9YQ12] | ||||||||
ChEMBL | Inhibition of HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 mins measured for 45 mins by fluorometry | B | 8.57 | pKi | 2.7 | nM | Ki | J Med Chem (2012) 55: 2724-2736 [PMID:22376008] |
ChEMBL | Inhibition of HIV1 protease expressed in Escherichia coli | B | 8.57 | pKi | 2.7 | nM | Ki | J Med Chem (2008) 51: 1053-1057 [PMID:18215014] |
ChEMBL | Inhibition of HIV1 RF protease expressed in Escherichia coli BL21 (DE3) using DABCYL-delta-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate after 30 mins by fluorescence assay | B | 8.57 | pKi | 2.7 | nM | Ki | Medchemcomm (2011) 2: 701-709 |
ChEMBL | Inhibition of HIV1 protease expressed in Escherichia coli by fluorometric assay | B | 9.3 | pKi | 0.5 | nM | Ki | J Med Chem (2010) 53: 607-615 [PMID:19961222] |
ChEMBL | Inhibition of HIV1 protease | B | 10.3 | pKi | 0.05 | nM | Ki | Bioorg Med Chem (2008) 16: 1299-1308 [PMID:17981045] |
ChEMBL | Inhibition of HIV1 protease using fluorogenic hexapeptide substrate (2-aminobenzoyl)Thr-Ile-Nle-(p-nitro)Phe-Gln-Arg by fluorimeter | B | 10.32 | pKi | 0.05 | nM | Ki | Medchemcomm (2011) 2: 1093-1098 |
ChEMBL | Inhibition of HIV1 protease | B | 10.41 | pKi | 0.04 | nM | Ki | Antimicrob Agents Chemother (2007) 51: 4036-4043 [PMID:17638694] |
ChEMBL | Inhibition of wild-type HIV1 BH10 protease expressed in Escherichia coli by spectrophotometric assay | B | 10.62 | pKi | 0.02 | nM | Ki | J Med Chem (2008) 51: 4839-4843 [PMID:18598016] |
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 | 8.4 | pIC50 | 4 | 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 | 8.4 | pIC50 | 4 | 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 | 8.4 | pIC50 | 4 | nM | IC50 | Med Chem Res (2013) 22: 3918-3933 |
ChEMBL | Inhibition of HIV1 protease activity | B | 9.52 | pIC50 | 0.3 | nM | IC50 | J Med Chem (2019) 62: 3553-3574 [PMID:30938524] |
ChEMBL | Inhibition of wild-type HIV1 protease expressed in Escherichia coli assessed as reduction in product formation preincubated for 30 mins followed by addition of Val-Ser-Gln-Asn-(beta-naphtyl)Ala-Pro-Ile-Val as substrate measured after 1 hr | B | 10.4 | pIC50 | 0.04 | nM | IC50 | ACS Med Chem Lett (2016) 7: 702-707 [PMID:27437081] |
ChEMBL | Inhibition of HIV1 protease expressed in Escherichia coli using Val-Ser-Gln-Asn-(beta-naphtyl)Ala-Pro-Ile-Val as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by mass spectrometric method | B | 10.4 | pIC50 | 0.04 | nM | IC50 | ACS Med Chem Lett (2017) 8: 1292-1297 [PMID:29259750] |
ChEMBL | Inhibition of HIV1 NL4-3 protease assessed as decrease in viral replication in human MT2 cells after 4 days by luciferase reporter gene assay | B | 9.15 | pEC50 | 0.7 | nM | EC50 | J Med Chem (2018) 61: 4176-4188 [PMID:29693401] |
ChEMBL data shown on this page come from version 32:
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]