ChEMBL ligand: CHEMBL116 (141 W94, 141W94, Agenerase, Amprenavir, J05AE05, KVX-478, VX-478)
cathepsin D/Cathepsin D in Human [ChEMBL: CHEMBL2581] [GtoPdb: 2345] [UniProtKB: P07339] There should be some charts here, you may need to enable JavaScript!
CYP3A4/Cytochrome P450 3A4 in Human [ChEMBL: CHEMBL340] [GtoPdb: 1337] [UniProtKB: P08684] 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 [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!
CYP5A1/Thromboxane-A synthase in Human [ChEMBL: CHEMBL1835] [GtoPdb: 1353] [UniProtKB: P24557] 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
cathepsin D/Cathepsin D in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2581] [GtoPdb: 2345] [UniProtKB: P07339]
ChEMBL	Inhibition of human cathepsin D	B	4.82	pIC50	15200	nM	IC50	Antimicrob Agents Chemother (2007) 51: 4036-4043 [PMID:17638694]
CYP3A4/Cytochrome P450 3A4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL340] [GtoPdb: 1337] [UniProtKB: P08684]
ChEMBL	DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)	B	6	pIC50	1000	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	Binding affinity for human immunodeficiency virus type 1 protease	B	8.96	pKd	1.1	nM	Kd	J Med Chem (2004) 47: 5953-5961 [PMID:15537350]
ChEMBL	Affinity for HIV Protease	B	9.23	pKd	-9.23	-	Log Kd	J Med Chem (2002) 45: 2770-2780 [PMID:12061879]
ChEMBL	Inhibition of HIV1 protease V32I mutant by uncompetitive binding	B	6.65	pKi	225	nM	Ki	J Med Chem (2008) 51: 6599-6603 [PMID:18808097]
ChEMBL	Inhibition of HIV1 protease V32I mutant by competitive binding	B	7	pKi	101	nM	Ki	J Med Chem (2008) 51: 6599-6603 [PMID:18808097]
ChEMBL	Inhibition of HIV1 protease V32I mutant by enzyme inhibition	B	7.2	pKi	63	nM	Ki	J Med Chem (2008) 51: 6599-6603 [PMID:18808097]
ChEMBL	Binding affinity to HIV1 protease V32I/I47V/V82I triple mutant at pH 5.8 and 28 degC by ITC method	B	7.46	pKi	35	nM	Ki	J Med Chem (2017) 60: 2018-2025 [PMID:28195728]
ChEMBL	Inhibition of HIV1 recombinant protease V32I/I47A mutant expressed in Escherichia coli by spectrophotometric assay	B	7.82	pKi	15	nM	Ki	J Med Chem (2008) 51: 4839-4843 [PMID:18598016]
ChEMBL	Binding affinity to HIV1 protease V32I/I47V/V82I triple mutant at pH 4.0 and 28 degC by ITC method	B	8	pKi	10	nM	Ki	J Med Chem (2017) 60: 2018-2025 [PMID:28195728]
ChEMBL	Inhibition of HIV1 recombinant protease L10I/L24I/L33F/M46L/154V/L63P/A71V/V82A/I84V mutant expressed in Escherichia coli by spectrophotometric assay	B	8.39	pKi	4.1	nM	Ki	J Med Chem (2008) 51: 4839-4843 [PMID:18598016]
ChEMBL	Inhibitory activity against HIV-1 protease	B	8.8	pKi	1.6	nM	Ki	Bioorg Med Chem Lett (1998) 8: 687-690 [PMID:9871583]
ChEMBL	Inhibition of HIV1 protease L10I/L63P/A71V/G73S/I84V/L90M mutant	B	8.85	pKi	1.4	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	9.05	pKi	0.9	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	9.09	pKi	0.82	nM	Ki	J Med Chem (2008) 51: 4839-4843 [PMID:18598016]
ChEMBL	Binding affinity to HIV1 protease assessed as inhibition constant	B	9.22	pKi	0.6	nM	Ki	J Med Chem (2016) 59: 5172-5208 [PMID:26799988]
ChEMBL	Binding affinity against HIV-protease	B	9.22	pKi	0.6	nM	Ki	J Med Chem (2000) 43: 305-341 [PMID:10669559]
ChEMBL	Compound was assayed for inhibition against HIV protease activity	B	9.22	pKi	0.6	nM	Ki	Bioorg Med Chem Lett (1998) 8: 3637-3642 [PMID:9934485]
ChEMBL	Inhibition constant for human immunodeficiency virus type 1 protease	B	9.64	pKi	0.23	nM	Ki	J Med Chem (2004) 47: 5953-5961 [PMID:15537350]
ChEMBL	Inhibition of HIV1 protease D30N/L63P/N88D mutant	B	9.68	pKi	0.21	nM	Ki	J Med Chem (2006) 49: 7342-7356 [PMID:17149864]
ChEMBL	Inhibition of HIV1 protease L10I, L63P, A71V, G73S, I84V, L90M mutant by FRET assay	B	9.71	pKi	0.2	nM	Ki	J Med Chem (2012) 55: 6328-6341 [PMID:22708897]
ChEMBL	Inhibitory activity against HIV-1 protease	B	9.77	pKi	0.17	nM	Ki	J Med Chem (1996) 39: 4299-4312 [PMID:8863807]
ChEMBL	Affinity against HIV protease	B	9.77	pKi	0.17	nM	Ki	J Med Chem (1997) 40: 4079-4088 [PMID:9406598]
ChEMBL	Binding affinity to inhibit the purified wild-type HIV-1 Protease	B	9.8	pKi	0.16	nM	Ki	J Med Chem (1997) 40: 181-191 [PMID:9003516]
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	9.82	pKi	0.15	nM	Ki	J Med Chem (2008) 51: 4839-4843 [PMID:18598016]
ChEMBL	Inhibition of HIV1 protease L10I/G48V/I54V/L63P/V82A mutant	B	9.82	pKi	0.15	nM	Ki	J Med Chem (2006) 49: 7342-7356 [PMID:17149864]
ChEMBL	Inhibition of HIV1 recombinant protease D30N/N88D mutant expressed in Escherichia coli by spectrophotometric assay	B	9.89	pKi	0.13	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	9.89	pKi	0.13	nM	Ki	J Med Chem (2008) 51: 4839-4843 [PMID:18598016]
ChEMBL	Binding affinity to HIV-1 protease was determined	B	10	pKi	<0.1	nM	Ki	Bioorg Med Chem Lett (1998) 8: 3631-3636 [PMID:9934484]
ChEMBL	Inhibition of wild type HIV1 protease Q7K mutant	B	10	pKi	0.1	nM	Ki	J Med Chem (2006) 49: 7342-7356 [PMID:17149864]
ChEMBL	Binding affinity to HIV-1 protease assessed as inhibition constant incubated for 60 mins by mass spectrometric analysis	B	10.1	pKi	0.08	nM	Ki	Bioorg Med Chem (2022) 57: 116650-116650 [PMID:35123178]
ChEMBL	Binding affinity for HIV-1 protease expressed in Escherichia coli upon incubation in pH 5.5 buffer containing Abz-Thr-Ile-p-nitrophenylalanine-Phe-Gln-Arg-NH2	B	10.22	pKi	0.06	nM	Ki	J Med Chem (2005) 48: 6607-6619 [PMID:16220977]
ChEMBL	Inhibition of HIV-1 Protease activity	B	10.24	pKi	0.06	nM	Ki	Bioorg Med Chem Lett (2004) 14: 959-963 [PMID:15013001]
ChEMBL	Inhibition of HIV1 protease L10I, G48V, I54V, L63P and V82A mutant by FRET assay	B	10.39	pKi	0.04	nM	Ki	J Med Chem (2012) 55: 6328-6341 [PMID:22708897]
ChEMBL	Inhibition constant against HIV Protease	B	10.4	pKi	0.04	nM	Ki	Bioorg Med Chem Lett (2005) 15: 81-84 [PMID:15582415]
ChEMBL	Inhibition constant against HIV-1 protease	B	10.4	pKi	0.04	nM	Ki	Bioorg Med Chem Lett (2005) 15: 3560-3564 [PMID:15975788]
ChEMBL	Inhibition of HIV protease	B	10.4	pKi	0.04	nM	Ki	Bioorg Med Chem Lett (2000) 10: 1159-1162 [PMID:10866371]
ChEMBL	Inhibition of HIV1 protease I50V, A71V mutant by FRET assay	B	10.52	pKi	0.03	nM	Ki	J Med Chem (2012) 55: 6328-6341 [PMID:22708897]
ChEMBL	Inhibitory concentration against multi-PI resistant D545701 in MT-4 cell lines(fold range > 7)	F	6	pIC50	>1000	nM	IC50	Bioorg Med Chem Lett (2005) 15: 3560-3564 [PMID:15975788]
ChEMBL	Inhibitory concentration against multi-PI resistant EP13 in MT-4 cell lines(fold range = 3)	F	6.36	pIC50	440	nM	IC50	Bioorg Med Chem Lett (2005) 15: 3560-3564 [PMID:15975788]
ChEMBL	Inhibitory concentration for antiviral inhibition against HIV-1 in MT-4 cell culture	F	6.82	pIC50	150	nM	IC50	Bioorg Med Chem Lett (2005) 15: 3560-3564 [PMID:15975788]
ChEMBL	Inhibition of virion associated RT activity relative to untreated, infected control in MT2 cells infected with HIV-1 237288 strain	B	7.52	pIC50	30	nM	IC50	J Med Chem (2000) 43: 3495-3504 [PMID:11000004]
ChEMBL	Concentration required to inhibit HIV-1 protease cleavage by 50%.	B	9	pIC50	1	nM	IC50	J Med Chem (2002) 45: 3321-3324 [PMID:12109915]
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	pIC50	>100000	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	4.82	pIC50	15170	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 recombinant HIV1 protease expressed in Escherichia coli by fluorescence technique	B	6.22	pKi	600	nM	Ki	Bioorg Med Chem (2008) 16: 8574-8586 [PMID:18760609]
ChEMBL	Inhibition of wild type HIV1 protease by uncompetitive binding	B	7.55	pKi	28	nM	Ki	J Med Chem (2008) 51: 6599-6603 [PMID:18808097]
ChEMBL	Inhibition of wild type HIV1 protease by enzyme inhibition	B	8.19	pKi	6.4	nM	Ki	J Med Chem (2008) 51: 6599-6603 [PMID:18808097]
ChEMBL	Inhibition of wild type HIV1 protease by competitive binding	B	8.21	pKi	6.2	nM	Ki	J Med Chem (2008) 51: 6599-6603 [PMID:18808097]
ChEMBL	Inhibition of HIV1 protease using Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)- Arg as substrate for 20 to 30 mins by FRET analysis	B	9.08	pKi	0.84	nM	Ki	Bioorg Med Chem Lett (2012) 22: 1976-1979 [PMID:22306123]
ChEMBL	Inhibition of HIV1 protease	B	9.22	pKi	0.6	nM	Ki	J Med Chem (2009) 52: 2163-2176 [PMID:19323561]
ChEMBL	Inhibition of HIV1 protease	B	9.44	pKi	0.36	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	9.46	pKi	0.34	nM	Ki	Medchemcomm (2011) 2: 1093-1098
ChEMBL	Inhibition of wild-type HIV1 BH10 protease expressed in Escherichia coli by spectrophotometric assay	B	9.74	pKi	0.18	nM	Ki	J Med Chem (2008) 51: 4839-4843 [PMID:18598016]
ChEMBL	Inhibition of HIV1 protease	B	9.93	pKi	0.12	nM	Ki	Antimicrob Agents Chemother (2007) 51: 4036-4043 [PMID:17638694]
ChEMBL	Inhibition of HIV1 protease by fluorescent peptide substrate based assay	B	10.24	pKi	0.06	nM	Ki	Antimicrob Agents Chemother (2007) 51: 3147-3154 [PMID:17620375]
ChEMBL	Inhibition of HIV1 protease	B	10.44	pKi	0.04	nM	Ki	Antimicrob Agents Chemother (2007) 51: 3147-3154 [PMID:17620375]
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	5.17	pIC50	6727	nM	IC50	DrugMatrix in vitro pharmacology data

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]