ritonavir [Ligand Id: 8804] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL163 (A-84538, ABBOTT-84538, ABT-538, Empetus, Norvir, NSC-693184, Ritomune, Ritonavir, Ritonavir related compounds mixture, Ritonavirum, Ritovir, Viekirax, Viriton)
  • ABCG2/ATP-binding cassette sub-family G member 2 in Human [ChEMBL: CHEMBL5393] [GtoPdb: 792] [UniProtKB: Q9UNQ0]
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  • Human immunodeficiency virus type 1 protease in Human immunodeficiency virus 1 [ChEMBL: CHEMBL243] [UniProtKB: Q72874]
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  • κ receptor/Kappa opioid receptor in Human [ChEMBL: CHEMBL237] [GtoPdb: 318] [UniProtKB: P41145]
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  • Multidrug and toxin extrusion/Multidrug and toxin extrusion protein 1 in Human [ChEMBL: CHEMBL1743126] [GtoPdb: 1216] [UniProtKB: Q96FL8]
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  • MATE2/Multidrug and toxin extrusion protein 2 in Human [ChEMBL: CHEMBL1743127] [GtoPdb: 1217] [UniProtKB: Q86VL8]
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  • μ receptor/Mu opioid receptor in Human [ChEMBL: CHEMBL233] [GtoPdb: 319] [UniProtKB: P35372]
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  • NK2 receptor/Neurokinin 2 receptor in Human [ChEMBL: CHEMBL2327] [GtoPdb: 361] [UniProtKB: P21452]
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  • Plasmodium falciparum plasmepsin V/Plasmepsin V in Plasmodium falciparum 3D7 [ChEMBL: CHEMBL3559649] [GtoPdb: 3106] [UniProtKB: Q8I6Z5]
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  • Organic cation transporter 1/Solute carrier family 22 member 1 in Human [ChEMBL: CHEMBL5685] [GtoPdb: 1019] [UniProtKB: O15245]
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  • Organic cation transporter 2/Solute carrier family 22 member 2 in Human [ChEMBL: CHEMBL1743122] [GtoPdb: 1020] [UniProtKB: O15244]
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  • V1A receptor/Vasopressin V1a receptor in Human [ChEMBL: CHEMBL1889] [GtoPdb: 366] [UniProtKB: P37288]
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  • CYP3A5 in Human [GtoPdb: 1338] [UniProtKB: P20815]
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  • UDP glucuronosyltransferase family 1 member A1 in Human [GtoPdb: 2990] [UniProtKB: P22309]
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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 TP_TRANSPORTER: increase in mitoxantrone intracellular accumulation in BCRP-expressing HEK cells F 4.71 pIC50 19500 nM IC50 J Pharmacol Exp Ther (2004) 310: 334-341 [PMID:15007102]
CYP2C9/Cytochrome P450 2C9 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3397] [GtoPdb: 1326] [UniProtKB: P11712]
ChEMBL DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) B 7.8 pIC50 16 nM IC50 DrugMatrix in vitro pharmacology data
CYP2D6/Cytochrome P450 2D6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL289] [GtoPdb: 1329] [UniProtKB: P10635]
ChEMBL DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) B 4.3 pIC50 50000 nM IC50 DrugMatrix in vitro pharmacology data
CYP3A4/Cytochrome P450 3A4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL340] [GtoPdb: 1337] [UniProtKB: P08684]
GtoPdb - - 7 pKi <100 nM Ki Antimicrob Agents Chemother (2008) 52: 1663-9 [PMID:18285471]
ChEMBL DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin) B 7.8 pIC50 16 nM IC50 DrugMatrix in vitro pharmacology data
Human immunodeficiency virus type 1 protease in Human immunodeficiency virus 1 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL243] [UniProtKB: Q72874]
ChEMBL Equilibrium constant for the interaction between inhibitor and HIV-1 Protease B 9.22 pKd 0.61 nM Kd J Med Chem (2002) 45: 5430-5439 [PMID:12459011]
ChEMBL Binding affinity for human immunodeficiency virus type 1 protease B 9.22 pKd 0.6 nM Kd J Med Chem (2004) 47: 5953-5961 [PMID:15537350]
ChEMBL Dissociation constant obtained by inhibition of mutant HIV-protease (A-44) B 7.22 pKi 60 nM Ki J Med Chem (2000) 43: 3386-3399 [PMID:10978186]
ChEMBL Dissociation constant obtained by inhibition of mutant HIV-protease (K-60) B 7.4 pKi 40 nM Ki J Med Chem (2000) 43: 3386-3399 [PMID:10978186]
ChEMBL Dissociation constant obtained by inhibition of mutant HIV-protease (V-18) B 7.64 pKi 23 nM Ki J Med Chem (2000) 43: 3386-3399 [PMID:10978186]
ChEMBL Inhibitory concentration against HIV-1 protease B 9.09 pKi 0.82 nM Ki J Med Chem (2001) 44: 3083-3091 [PMID:11543677]
ChEMBL Inhibition constant for human immunodeficiency virus type 1 protease B 9.23 pKi 0.59 nM Ki J Med Chem (2004) 47: 5953-5961 [PMID:15537350]
ChEMBL Inhibition constant against HIV-1 Protease B 9.23 pKi 0.59 nM Ki J Med Chem (2002) 45: 5430-5439 [PMID:12459011]
ChEMBL Affinity against HIV protease B 9.43 pKi 0.37 nM Ki J Med Chem (1997) 40: 4079-4088 [PMID:9406598]
ChEMBL Binding affinity for HIV -1 Protease B 9.43 pKi 0.37 nM Ki Bioorg Med Chem Lett (1999) 9: 3217-3220 [PMID:10576691]
ChEMBL Inhibitory activity against HIV-1 protease B 9.43 pKi 0.37 nM Ki J Med Chem (1996) 39: 4299-4312 [PMID:8863807]
ChEMBL Binding affinity to inhibit the purified wild-type HIV-1 Protease B 9.43 pKi 0.37 nM Ki J Med Chem (1997) 40: 181-191 [PMID:9003516]
ChEMBL Tested for inhibitor binding of D25N/V82A mutant of HIV PR B 9.92 pKi 0.12 nM Ki J Med Chem (2004) 47: 2030-2036 [PMID:15056001]
ChEMBL Dissociation constant obtained by inhibition of Wild-type protease B 10.21 pKi 0.06 nM Ki J Med Chem (2000) 43: 3386-3399 [PMID:10978186]
ChEMBL Inhibition of HIV protease B 10.7 pKi 0.02 nM Ki Bioorg Med Chem Lett (2000) 10: 1159-1162 [PMID:10866371]
ChEMBL Inhibitory activity against purified HIV protease B 10.7 pKi 0.02 nM Ki Bioorg Med Chem Lett (1995) 5: 2725-2728
ChEMBL Inhibition constant of ritonavir towards HIV protease was determined B 10.82 pKi 0.01 nM Ki Bioorg Med Chem Lett (1997) 7: 699-704
ChEMBL Tested for inhibitor binding of wild-type HIV PR B 10.82 pKi 0.01 nM Ki J Med Chem (2004) 47: 2030-2036 [PMID:15056001]
κ receptor/Kappa opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL237] [GtoPdb: 318] [UniProtKB: P41145]
ChEMBL DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine) B 5.26 pKi 5462 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine) B 4.86 pIC50 13655 nM IC50 DrugMatrix in vitro pharmacology data
Multidrug and toxin extrusion/Multidrug and toxin extrusion protein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1743126] [GtoPdb: 1216] [UniProtKB: Q96FL8]
ChEMBL Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay B 5.36 pIC50 4400 nM IC50 J Med Chem (2013) 56: 781-795 [PMID:23241029]
ChEMBL Inhibition of human MATE1-mediated [14]-metformin uptake expressed in polarized MDCK2 cells after 5 mins by liquid scintillation counting analysis B 5.68 pIC50 2100 nM IC50 J Med Chem (2013) 56: 781-795 [PMID:23241029]
ChEMBL Inhibition of human MATE1-mediated [14]-metformin uptake expressed in HEK293 cells after 1.5 mins by scintillation counting analysis B 7.1 pIC50 80 nM IC50 J Med Chem (2013) 56: 781-795 [PMID:23241029]
MATE2/Multidrug and toxin extrusion protein 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1743127] [GtoPdb: 1217] [UniProtKB: Q86VL8]
ChEMBL Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay B 4.63 pIC50 23700 nM IC50 J Med Chem (2013) 56: 781-795 [PMID:23241029]
ChEMBL Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells up to 500 uM after 1.5 mins by fluorescence assay B 5.36 pIC50 4400 nM IC50 J Med Chem (2013) 56: 781-795 [PMID:23241029]
μ receptor/Mu opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL233] [GtoPdb: 319] [UniProtKB: P35372]
ChEMBL DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine) B 4.58 pKi 26606 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine) B 4.18 pIC50 65542 nM IC50 DrugMatrix in vitro pharmacology data
NK2 receptor/Neurokinin 2 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2327] [GtoPdb: 361] [UniProtKB: P21452]
ChEMBL DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968) B 6.06 pKi 874 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968) B 5.58 pIC50 2622 nM IC50 DrugMatrix in vitro pharmacology data
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 4.4 pIC50 39600 nM IC50 Antimicrob Agents Chemother (2007) 51: 3498-3504 [PMID:17664327]
ChEMBL TP_TRANSPORTER: inhibition of cyclosporin A uptake (cyclosporin A: 10 uM) in MDR1-expressing LLC-PK1 cells F 4.8 pIC50 15700 nM IC50 J Pharmacol Exp Ther (2003) 304: 1161-1171 [PMID:12604693]
ChEMBL Inhibition of P-glycoprotein, human L-MDR1 expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay F 4.92 pIC50 12000 nM IC50 J Med Chem (2003) 46: 1716-1725 [PMID:12699389]
ChEMBL TP_TRANSPORTER: inhibition of Calcein-AM efflux in MDR1-expressing LLC-PK1 cells F 4.92 pIC50 12000 nM IC50 J Med Chem (2003) 46: 1716-1725 [PMID:12699389]
ChEMBL TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) (Digoxin: 5 uM) in Caco-2 cells F 5.42 pIC50 3800 nM IC50 Drug Metab Dispos (2000) 28: 655-660 [PMID:10820137]
ChEMBL Inhibition of P-glycoprotein using calcein-AM assay transfected in porcine PBCEC F 5.82 pIC50 1500 nM IC50 J Med Chem (2003) 46: 1716-1725 [PMID:12699389]
P-glycoprotein 1 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3467] [UniProtKB: P06795]
ChEMBL Inhibition of P-glycoprotein, mouse L-mdr1b expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay F 4.3 pIC50 >50000 nM IC50 J Med Chem (2003) 46: 1716-1725 [PMID:12699389]
ChEMBL TP_TRANSPORTER: inhibition of Calcein-AM efflux in Mdr1b-expressing LLC-PK1 cells F 4.3 pIC50 >50000 nM IC50 J Med Chem (2003) 46: 1716-1725 [PMID:12699389]
ABCB1/P-glycoprotein 3 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2573] [GtoPdb: 768] [UniProtKB: P21447]
ChEMBL Inhibition of P-glycoprotein, mouse L-mdr1a expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay F 4.3 pIC50 >50000 nM IC50 J Med Chem (2003) 46: 1716-1725 [PMID:12699389]
ChEMBL TP_TRANSPORTER: inhibition of Calcein-AM efflux in Mdr1a-expressing LLC-PK1 cells F 4.3 pIC50 50000 nM IC50 J Med Chem (2003) 46: 1716-1725 [PMID:12699389]
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 DNDI: Malaria in Vitro, 72 hour F 4.79 pIC50 16230 nM IC50 Antiprotozoal Activity Profiling of Approved Drugs: A Starting Point toward Drug Repositioning
ChEMBL Antimicrobial activity against Plasmodium falciparum at ring stage F 5.01 pIC50 9664 nM IC50 Antimicrob Agents Chemother (2008) 52: 2435-2441 [PMID:18443130]
ChEMBL Antimalarial activity against Plasmodium falciparum FAC8 F 5.15 pEC50 7000 nM EC50 Antimicrob Agents Chemother (2007) 51: 759-762 [PMID:17088482]
ChEMBL Antimicrobial activity against Plasmodium falciparum harboring HFP-tagged Pfs16 protein after 48 hrs F 5.3 pEC50 5000 nM EC50 Antimicrob Agents Chemother (2010) 54: 1334-1337 [PMID:20028821]
ChEMBL Antimicrobial activity against chloroquine-sensitive Plasmodium falciparum D10 after 48 hrs F 5.52 pEC50 3000 nM EC50 Antimicrob Agents Chemother (2010) 54: 1334-1337 [PMID:20028821]
ChEMBL Antimicrobial activity against chloroquine-sensitive Plasmodium falciparum 3D7 after 48 hrs F 5.52 pEC50 3000 nM EC50 Antimicrob Agents Chemother (2010) 54: 1334-1337 [PMID:20028821]
ChEMBL Antimalarial activity against Plasmodium falciparum D10 F 5.96 pEC50 1100 nM EC50 Antimicrob Agents Chemother (2007) 51: 759-762 [PMID:17088482]
ChEMBL Antimalarial activity against Plasmodium falciparum Dd2 F 6.07 pEC50 850 nM EC50 Antimicrob Agents Chemother (2007) 51: 759-762 [PMID:17088482]
Plasmodium vivax (target type: ORGANISM) [ChEMBL: CHEMBL613013]
ChEMBL Antimicrobial activity against Plasmodium vivax at trophozoite stage F 5.65 pIC50 2233 nM IC50 Antimicrob Agents Chemother (2008) 52: 2435-2441 [PMID:18443130]
Plasmodium yoelii yoelii (target type: ORGANISM) [ChEMBL: CHEMBL612328]
ChEMBL Antimicrobial activity against Plasmodium yoelii 265 liver infected in mammalian hepatocytes after 48 hrs F 7.47 pIC50 34.2 nM IC50 Antimicrob Agents Chemother (2008) 52: 1215-1220 [PMID:18212104]
Protease in Human immunodeficiency virus 1 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2366517] [UniProtKB: Q9YQ12]
ChEMBL Inhibition of HIV1 protease expressed in Escherichia coli by fluorometric assay B 9.1 pKi 0.8 nM Ki J Med Chem (2010) 53: 607-615 [PMID:19961222]
ChEMBL Inhibition of HIV1 protease using fluorogenic hexapeptide substrate (2-aminobenzoyl)Thr-Ile-Nle-(p-nitro)Phe-Gln-Arg by fluorimeter B 9.5 pKi 0.31 nM Ki Medchemcomm (2011) 2: 1093-1098
ChEMBL Inhibition of HIV1 protease B 10.01 pKi 0.1 nM Ki Bioorg Med Chem (2008) 16: 1299-1308 [PMID:17981045]
ChEMBL Inhibition of HIV1 protease B 10.47 pKi 0.03 nM Ki Antimicrob Agents Chemother (2007) 51: 4036-4043 [PMID:17638694]
ChEMBL Inhibition of HIV1 protease B 5.01 pIC50 9850 nM IC50 Bioorg Med Chem (2013) 21: 1964-1971 [PMID:23415084]
ChEMBL Inhibition of HIV-1 protease B 9.22 pIC50 0.6 nM IC50 Bioorg Med Chem Lett (2014) 24: 989-994 [PMID:24411125]
ChEMBL Inhibition of HIV1 3B protease infected in human MT4 cells assessed as protection from virus induced cytopathogenicity measured after 5 days post infection by MTT assay B 6.82 pEC50 150 nM EC50 Bioorg Med Chem Lett (2018) 28: 2379-2381 [PMID:29934245]
Organic cation transporter 1/Solute carrier family 22 member 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5685] [GtoPdb: 1019] [UniProtKB: O15245]
ChEMBL Inhibition of human OCT1-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay B 4.47 pIC50 33900 nM IC50 J Med Chem (2013) 56: 781-795 [PMID:23241029]
Organic cation transporter 2/Solute carrier family 22 member 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1743122] [GtoPdb: 1020] [UniProtKB: O15244]
ChEMBL Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay B 4.61 pIC50 24800 nM IC50 J Med Chem (2013) 56: 781-795 [PMID:23241029]
CYP5A1/Thromboxane-A synthase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1835] [GtoPdb: 1353] [UniProtKB: P24557]
ChEMBL DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2) B 7.12 pIC50 76 nM IC50 DrugMatrix in vitro pharmacology data
V1A receptor/Vasopressin V1a receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1889] [GtoPdb: 366] [UniProtKB: P37288]
ChEMBL DRUGMATRIX: Vasopressin V1A radioligand binding (ligand: [125I] PhenylacetylTyr(Me)PheGlnAsnArgProArgTyr) B 5.3 pKi 4981 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Vasopressin V1A radioligand binding (ligand: [125I] PhenylacetylTyr(Me)PheGlnAsnArgProArgTyr) B 4.91 pIC50 12416 nM IC50 DrugMatrix in vitro pharmacology data
CYP3A5 in Human [GtoPdb: 1338] [UniProtKB: P20815]
GtoPdb - - 6.92 pKi 120 nM Ki Curr Drug Metab (2005) 6: 413-54 [PMID:16248836]
UDP glucuronosyltransferase family 1 member A1 in Human [GtoPdb: 2990] [UniProtKB: P22309]
GtoPdb - - 5.77 pIC50 1700 nM IC50 Drug Metab Dispos (2011) 39: 322-9 [PMID:21030469]

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]