atazanavir [Ligand Id: 11138] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL1163 (CGP-73547, BMS-232632, Reyataz, Atazanavir)
  • HIV-1 protease in Human immunodeficiency virus [ChEMBL: CHEMBL4296312] [UniProtKB: O90781]
  • 9.77
1 CHEMBL1163_lig_chart_1 HIV-1 protease Human immunodeficiency virus
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  • Human immunodeficiency virus type 1 protease in Human immunodeficiency virus 1 [ChEMBL: CHEMBL243] [UniProtKB: Q72874]
  • This target only has 1 pki data point
  • 9.62
2 CHEMBL1163_lig_chart_2 Human immunodeficiency virus type 1 protease Human immunodeficiency virus 1
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  • Human immunodeficiency virus type 1 reverse transcriptase in Human immunodeficiency virus 1 [ChEMBL: CHEMBL247] [UniProtKB: Q72547]
  • This target only has 0 pki data point
  • 0
3 CHEMBL1163_lig_chart_3 Human immunodeficiency virus type 1 reverse transcriptase Human immunodeficiency virus 1
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  • ABCB1/P-glycoprotein 1 in Human [ChEMBL: CHEMBL4302] [GtoPdb: 768] [UniProtKB: P08183]
  • This target only has 0 pki data point
  • 0
4 CHEMBL1163_lig_chart_4 P-glycoprotein 1 Human
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  • Plasmodium falciparum [ChEMBL: CHEMBL364]
  • This target only has 0 pki data point
  • 0
5 CHEMBL1163_lig_chart_5 Plasmodium falciparum Plasmodium falciparum
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6 CHEMBL1163_lig_chart_6 Protease Human immunodeficiency virus 1
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
HIV-1 protease in Human immunodeficiency virus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4296312] [UniProtKB: O90781]
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 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 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 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 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]
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 28:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]