ChEMBL ligand: CHEMBL3989866 (Bictegravir, GS-9883, GS-9883-01)
Human immunodeficiency virus type 1 integrase in Human immunodeficiency virus 1 [ChEMBL: CHEMBL3471] [UniProtKB: Q7ZJM1] There should be some charts here, you may need to enable JavaScript!
Integrase in Human immunodeficiency virus 1 [ChEMBL: CHEMBL4296304] [UniProtKB: T1QYY3] There should be some charts here, you may need to enable JavaScript!
Organic cation transporter 2/Solute carrier family 22 member 2 in Human [ChEMBL: CHEMBL1743122] [GtoPdb: 1020] [UniProtKB: O15244] 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
Human immunodeficiency virus type 1 integrase in Human immunodeficiency virus 1 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3471] [UniProtKB: Q7ZJM1]
ChEMBL	Inhibition of HIV integrase strand transfer activity	B	8.12	pIC50	7.5	nM	IC50	Bioorg Med Chem (2019) 27: 3836-3845 [PMID:31324562]
ChEMBL	Inhibition of HIV-1 integrase DTG-resistant G118R mutant	B	8.3	pEC50	<=5	nM	EC50	Eur J Med Chem (2021) 225: 113787-113787 [PMID:34425310]
ChEMBL	Inhibition of HIV-1 integrase DTG-resistant R263K mutant	B	8.3	pEC50	<=5	nM	EC50	Eur J Med Chem (2021) 225: 113787-113787 [PMID:34425310]
ChEMBL	Inhibition of HIV-1 integrase DTG-resistant H51Y/R263K double mutant	B	8.3	pEC50	<=5	nM	EC50	Eur J Med Chem (2021) 225: 113787-113787 [PMID:34425310]
Integrase in Human immunodeficiency virus 1 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4296304] [UniProtKB: T1QYY3]
ChEMBL	Inhibition of HIV-1 integrase RAL-resistant G140S/Q148H double mutant	B	8.3	pEC50	<=5	nM	EC50	Eur J Med Chem (2021) 225: 113787-113787 [PMID:34425310]
ChEMBL	Inhibition of HIV-1 integrase G140S/Q148K double mutant	B	8.51	pEC50	3.1	nM	EC50	Eur J Med Chem (2021) 225: 113787-113787 [PMID:34425310]
Organic cation transporter 2/Solute carrier family 22 member 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1743122] [GtoPdb: 1020] [UniProtKB: O15244]
ChEMBL	Inhibition Assay: The dose dependent inhibition of OCT2 mediated uptake of a model substrate 14C-Tetraethylammonium (TEA) by test compounds was studied in wild-type and OCT2-transfected MDCKII cells at 7 concentrations from 0.014 μM to 10 μM.MDCKII cells were maintained in minimal essential medium (MEM) with 1% Pen/Strep, 10% fetal bovine serum, and 0.25 mg/mL hygromycin B in an incubator set at 37° C., 90% humidity and 5% CO2. 24 hours prior to assay, media containing 5 mM sodium butyrate were added to MDCKII cells in flasks, and cells were grown to 80-90% confluence. On assay day, cells were trypsinized and resuspended in Krebs-Henseleit Buffer (KHB), pH 7.4 at 5×106 million cells/mL. Cells were preincubated for 15 min in assay plate before addition of test compound or substrate.	B	6.31	pIC50	487	nM	IC50	US-9663528-B2. Substituted 1,2,3,4,6,8,12,12a-octahydro-1,4-methanodipyrido[1,2-a:1',2'-d]pyrazines and methods for treating viral infections (2017)
ChEMBL	OCT2 Inhibition Assay: The dose dependent inhibition of OCT2 mediated uptake of a model substrate 14C-Tetraethylammonium (TEA) by test compounds was studied in wild-type and OCT2-transfected MDCKII cells at 7 concentrations from 0.014 μM to 10 μM.MDCKII cells were maintained in minimal essential medium (MEM) with 1% Pen/Strep, 10% fetal bovine serum, and 0.25 mg/mL hygromycin B in an incubator set at 37° C., 90% humidity and 5% CO2. 24 hours prior to assay, media containing 5 mM sodium butyrate were added to MDCKII cells in flasks, and cells were grown to 80-90% confluence. On assay day, cells were trypsinized and resuspended in Krebs-Henseleit Buffer (KHB), pH 7.4 at 5×10 million cells/mL. Cells were preincubated for 15 min in assay plate before addition of test compound or substrate.	B	6.31	pIC50	487	nM	IC50	US-11548901-B2. Substituted 1,4-methanopyrido[1′,2′:4,5]pyrazino[1,2-a]pyrimidines for treating viral infections (2023)

ChEMBL data shown on this page come from version 36:

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]